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/nfs/dbraw/zinc/02/04/78/1075020478.db2.gz OOHKFJBJOAFWFR-CHWSQXEVSA-N 1 2 386.460 -1.328 20 30 GAEDLO C#CCNc1nc(N2CC(=O)N(C)C[C@@H]2C)[nH+]c(N2CC(=O)N(C)C[C@@H]2C)n1 ZINC000804637956 1075020381 /nfs/dbraw/zinc/02/03/81/1075020381.db2.gz OOHKFJBJOAFWFR-STQMWFEESA-N 1 2 386.460 -1.328 20 30 GAEDLO C#CCNc1nc(N2CC(=O)N(C)C[C@@H]2C)nc(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC000804637956 1075020379 /nfs/dbraw/zinc/02/03/79/1075020379.db2.gz OOHKFJBJOAFWFR-STQMWFEESA-N 1 2 386.460 -1.328 20 30 GAEDLO C#CCNc1nc(N2C[C@H](C)O[C@H](CO)C2)[nH+]c(N2C[C@H](C)O[C@H](CO)C2)n1 ZINC000804646014 1075020006 /nfs/dbraw/zinc/02/00/06/1075020006.db2.gz KMIHVXVTVNYYET-AJNGGQMLSA-N 1 2 392.460 -1.489 20 30 GAEDLO C#CCNc1nc(N2C[C@H](C)O[C@H](CO)C2)nc(N2C[C@H](C)O[C@H](CO)C2)[nH+]1 ZINC000804646014 1075020001 /nfs/dbraw/zinc/02/00/01/1075020001.db2.gz KMIHVXVTVNYYET-AJNGGQMLSA-N 1 2 392.460 -1.489 20 30 GAEDLO C#CCNc1nc(N2CC[C@@](C)(C(N)=O)C2)[nH+]c(N2CC[C@@](C)(C(N)=O)C2)n1 ZINC000804681730 1075020390 /nfs/dbraw/zinc/02/03/90/1075020390.db2.gz CJQRMMPUEOUDPR-QZTJIDSGSA-N 1 2 386.460 -1.258 20 30 GAEDLO C#CCNc1nc(N2CC[C@@](C)(C(N)=O)C2)nc(N2CC[C@@](C)(C(N)=O)C2)[nH+]1 ZINC000804681730 1075020386 /nfs/dbraw/zinc/02/03/86/1075020386.db2.gz CJQRMMPUEOUDPR-QZTJIDSGSA-N 1 2 386.460 -1.258 20 30 GAEDLO C#CCNc1nc(N2CC[C@](C)(C(N)=O)C2)[nH+]c(N2CC[C@](C)(C(N)=O)C2)n1 ZINC000804681731 1075020540 /nfs/dbraw/zinc/02/05/40/1075020540.db2.gz CJQRMMPUEOUDPR-ROUUACIJSA-N 1 2 386.460 -1.258 20 30 GAEDLO C#CCNc1nc(N2CC[C@](C)(C(N)=O)C2)nc(N2CC[C@](C)(C(N)=O)C2)[nH+]1 ZINC000804681731 1075020530 /nfs/dbraw/zinc/02/05/30/1075020530.db2.gz CJQRMMPUEOUDPR-ROUUACIJSA-N 1 2 386.460 -1.258 20 30 GAEDLO C#CCNc1nc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]c(N2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000804695392 1075020900 /nfs/dbraw/zinc/02/09/00/1075020900.db2.gz KUHDFLWHMLGXAT-NMWPEEMBSA-N 1 2 388.428 -1.453 20 30 GAEDLO C#CCNc1nc(N2C[C@@H]3COC[C@H](C2)O3)nc(N2C[C@@H]3COC[C@H](C2)O3)[nH+]1 ZINC000804695392 1075020895 /nfs/dbraw/zinc/02/08/95/1075020895.db2.gz KUHDFLWHMLGXAT-NMWPEEMBSA-N 1 2 388.428 -1.453 20 30 GAEDLO C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000806914783 1075027774 /nfs/dbraw/zinc/02/77/74/1075027774.db2.gz ZJKCRQMEDLOCPL-UHFFFAOYSA-N 1 2 385.490 -1.848 20 30 GAEDLO C#CCNc1nc(N2CC[C@H](CC(N)=O)C2)[nH+]c(N2CC[C@H](CC(N)=O)C2)n1 ZINC000808122129 1075031316 /nfs/dbraw/zinc/03/13/16/1075031316.db2.gz LKYISAICYRQZDA-CHWSQXEVSA-N 1 2 386.460 -1.258 20 30 GAEDLO C#CCNc1nc(N2CC[C@H](CC(N)=O)C2)nc(N2CC[C@H](CC(N)=O)C2)[nH+]1 ZINC000808122129 1075031310 /nfs/dbraw/zinc/03/13/10/1075031310.db2.gz LKYISAICYRQZDA-CHWSQXEVSA-N 1 2 386.460 -1.258 20 30 GAEDLO C#CCNc1nc(N2CC[C@@H](CC(N)=O)C2)[nH+]c(N2CC[C@@H](CC(N)=O)C2)n1 ZINC000808122130 1075031213 /nfs/dbraw/zinc/03/12/13/1075031213.db2.gz LKYISAICYRQZDA-STQMWFEESA-N 1 2 386.460 -1.258 20 30 GAEDLO C#CCNc1nc(N2CC[C@@H](CC(N)=O)C2)nc(N2CC[C@@H](CC(N)=O)C2)[nH+]1 ZINC000808122130 1075031206 /nfs/dbraw/zinc/03/12/06/1075031206.db2.gz LKYISAICYRQZDA-STQMWFEESA-N 1 2 386.460 -1.258 20 30 GAEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000810149726 1075034201 /nfs/dbraw/zinc/03/42/01/1075034201.db2.gz SXWAUFDYMVOTCM-UHFFFAOYSA-N 1 2 379.442 -1.144 20 30 GAEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000810149726 1075034196 /nfs/dbraw/zinc/03/41/96/1075034196.db2.gz SXWAUFDYMVOTCM-UHFFFAOYSA-N 1 2 379.442 -1.144 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000810352530 1075034490 /nfs/dbraw/zinc/03/44/90/1075034490.db2.gz QLQDNVUSLXDZFY-UHFFFAOYSA-N 1 2 393.469 -1.356 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000810352530 1075034488 /nfs/dbraw/zinc/03/44/88/1075034488.db2.gz QLQDNVUSLXDZFY-UHFFFAOYSA-N 1 2 393.469 -1.356 20 30 GAEDLO C#CCNc1nc(N2CC[C@H](CO)[C@H](O)C2)[nH+]c(N2CC[C@H](CO)[C@H](O)C2)n1 ZINC000811838171 1075035909 /nfs/dbraw/zinc/03/59/09/1075035909.db2.gz XQLMQLAZDVGGFV-KBUPBQIOSA-N 1 2 392.460 -2.302 20 30 GAEDLO C#CCNc1nc(N2CC[C@H](CO)[C@H](O)C2)nc(N2CC[C@H](CO)[C@H](O)C2)[nH+]1 ZINC000811838171 1075035902 /nfs/dbraw/zinc/03/59/02/1075035902.db2.gz XQLMQLAZDVGGFV-KBUPBQIOSA-N 1 2 392.460 -2.302 20 30 GAEDLO Cn1cc(S(=O)(=O)NN=C2CC[NH+](CC(C)(C)O)CC2)c(=O)n(C)c1=O ZINC000814224512 1075039275 /nfs/dbraw/zinc/03/92/75/1075039275.db2.gz IOAXJRDOHKGUNL-UHFFFAOYSA-N 1 2 387.462 -1.415 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000823850269 946490712 /nfs/dbraw/zinc/49/07/12/946490712.db2.gz LYQUDDARONBVQI-UHFFFAOYSA-N 1 2 386.416 -1.011 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 ZINC000823850269 946490707 /nfs/dbraw/zinc/49/07/07/946490707.db2.gz LYQUDDARONBVQI-UHFFFAOYSA-N 1 2 386.416 -1.011 20 30 GAEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823850284 608040854 /nfs/dbraw/zinc/04/08/54/608040854.db2.gz MMDOLZJXRZCPAX-HNNXBMFYSA-N 1 2 391.457 -1.015 20 30 GAEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823850285 608040921 /nfs/dbraw/zinc/04/09/21/608040921.db2.gz MMDOLZJXRZCPAX-OAHLLOKOSA-N 1 2 391.457 -1.015 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823851082 608222238 /nfs/dbraw/zinc/22/22/38/608222238.db2.gz ZEEXWAPFALRBKV-UHFFFAOYSA-N 1 2 397.443 -1.043 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823851082 608222236 /nfs/dbraw/zinc/22/22/36/608222236.db2.gz ZEEXWAPFALRBKV-UHFFFAOYSA-N 1 2 397.443 -1.043 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000826549472 1075512111 /nfs/dbraw/zinc/51/21/11/1075512111.db2.gz IZJGCQZKKXYGLW-UHFFFAOYSA-N 1 2 375.433 -1.538 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000826549472 1075512106 /nfs/dbraw/zinc/51/21/06/1075512106.db2.gz IZJGCQZKKXYGLW-UHFFFAOYSA-N 1 2 375.433 -1.538 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000826549831 1075512078 /nfs/dbraw/zinc/51/20/78/1075512078.db2.gz NTSPSOOGQOJRSV-UHFFFAOYSA-N 1 2 389.460 -1.147 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC000826549831 1075512069 /nfs/dbraw/zinc/51/20/69/1075512069.db2.gz NTSPSOOGQOJRSV-UHFFFAOYSA-N 1 2 389.460 -1.147 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000826551154 1075512001 /nfs/dbraw/zinc/51/20/01/1075512001.db2.gz YTVGJTOABBJIGF-AWEZNQCLSA-N 1 2 385.490 -1.814 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000826551154 1075511995 /nfs/dbraw/zinc/51/19/95/1075511995.db2.gz YTVGJTOABBJIGF-AWEZNQCLSA-N 1 2 385.490 -1.814 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000826551160 1075512029 /nfs/dbraw/zinc/51/20/29/1075512029.db2.gz YTVGJTOABBJIGF-CQSZACIVSA-N 1 2 385.490 -1.814 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000826551160 1075512025 /nfs/dbraw/zinc/51/20/25/1075512025.db2.gz YTVGJTOABBJIGF-CQSZACIVSA-N 1 2 385.490 -1.814 20 30 GAEDLO C=CCN1CCN(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000839962546 1073875060 /nfs/dbraw/zinc/87/50/60/1073875060.db2.gz BKSWVMLZEBOGAD-UHFFFAOYSA-N 1 2 386.522 -1.023 20 30 GAEDLO C#CCNc1nc(N2CCO[C@H]([C@H](C)O)C2)[nH+]c(N2CCO[C@H]([C@H](C)O)C2)n1 ZINC000840387189 1073875762 /nfs/dbraw/zinc/87/57/62/1073875762.db2.gz UTYSBKZWSGZIOT-AJNGGQMLSA-N 1 2 392.460 -1.489 20 30 GAEDLO C#CCNc1nc(N2CCO[C@H]([C@H](C)O)C2)nc(N2CCO[C@H]([C@H](C)O)C2)[nH+]1 ZINC000840387189 1073875754 /nfs/dbraw/zinc/87/57/54/1073875754.db2.gz UTYSBKZWSGZIOT-AJNGGQMLSA-N 1 2 392.460 -1.489 20 30 GAEDLO C#CCNc1nc(N2C[C@H](O)C[C@H]2COC)[nH+]c(N2C[C@H](O)C[C@H]2COC)n1 ZINC000845662449 1075059276 /nfs/dbraw/zinc/05/92/76/1075059276.db2.gz IXOSYOORXBNSCW-BYNSBNAKSA-N 1 2 392.460 -1.489 20 30 GAEDLO C#CCNc1nc(N2C[C@H](O)C[C@H]2COC)nc(N2C[C@H](O)C[C@H]2COC)[nH+]1 ZINC000845662449 1075059271 /nfs/dbraw/zinc/05/92/71/1075059271.db2.gz IXOSYOORXBNSCW-BYNSBNAKSA-N 1 2 392.460 -1.489 20 30 GAEDLO C#CCNc1nc(N2C[C@H](O)C[C@@H]2COC)[nH+]c(N2C[C@H](O)C[C@@H]2COC)n1 ZINC000845675644 1075058929 /nfs/dbraw/zinc/05/89/29/1075058929.db2.gz IXOSYOORXBNSCW-KBUPBQIOSA-N 1 2 392.460 -1.489 20 30 GAEDLO C#CCNc1nc(N2C[C@H](O)C[C@@H]2COC)nc(N2C[C@H](O)C[C@@H]2COC)[nH+]1 ZINC000845675644 1075058926 /nfs/dbraw/zinc/05/89/26/1075058926.db2.gz IXOSYOORXBNSCW-KBUPBQIOSA-N 1 2 392.460 -1.489 20 30 GAEDLO CCOC(=O)CON=C(C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1cc[nH]n1 ZINC000846356430 1075061391 /nfs/dbraw/zinc/06/13/91/1075061391.db2.gz HJIBSUMQQRKIEF-UHFFFAOYSA-N 1 2 394.432 -1.074 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCN2C(=O)CCNC2=S)CC1 ZINC000847446565 1075224177 /nfs/dbraw/zinc/22/41/77/1075224177.db2.gz PWJUDAVFXFAQND-UHFFFAOYSA-N 1 2 379.486 -1.233 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCN2C(=O)CCNC2=S)CC1 ZINC000847446565 1075224171 /nfs/dbraw/zinc/22/41/71/1075224171.db2.gz PWJUDAVFXFAQND-UHFFFAOYSA-N 1 2 379.486 -1.233 20 30 GAEDLO C#CCNc1nc(N2CCn3nncc3C2)[nH+]c(N2CCn3nncc3C2)n1 ZINC000848747637 1075237439 /nfs/dbraw/zinc/23/74/39/1075237439.db2.gz PJOQPLCQNCYSEM-UHFFFAOYSA-N 1 2 378.404 -1.438 20 30 GAEDLO C#CCNc1nc(N2CCn3nncc3C2)nc(N2CCn3nncc3C2)[nH+]1 ZINC000848747637 1075237431 /nfs/dbraw/zinc/23/74/31/1075237431.db2.gz PJOQPLCQNCYSEM-UHFFFAOYSA-N 1 2 378.404 -1.438 20 30 GAEDLO C#CCNc1nc(N(C)Cc2cn(C)nn2)[nH+]c(N(C)Cc2cn(C)nn2)n1 ZINC000853860749 1075446652 /nfs/dbraw/zinc/44/66/52/1075446652.db2.gz NZYHCBFRLPQVKV-UHFFFAOYSA-N 1 2 382.436 -1.132 20 30 GAEDLO C#CCNc1nc(N(C)Cc2cn(C)nn2)nc(N(C)Cc2cn(C)nn2)[nH+]1 ZINC000853860749 1075446646 /nfs/dbraw/zinc/44/66/46/1075446646.db2.gz NZYHCBFRLPQVKV-UHFFFAOYSA-N 1 2 382.436 -1.132 20 30 GAEDLO C#CCNc1nc(N2CCC(=O)N(C)CC2)[nH+]c(N2CCC(=O)N(C)CC2)n1 ZINC000853872300 1075446691 /nfs/dbraw/zinc/44/66/91/1075446691.db2.gz YSOQIKGXLXDTEX-UHFFFAOYSA-N 1 2 386.460 -1.324 20 30 GAEDLO C#CCNc1nc(N2CCC(=O)N(C)CC2)nc(N2CCC(=O)N(C)CC2)[nH+]1 ZINC000853872300 1075446684 /nfs/dbraw/zinc/44/66/84/1075446684.db2.gz YSOQIKGXLXDTEX-UHFFFAOYSA-N 1 2 386.460 -1.324 20 30 GAEDLO C#CCNc1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)[nH+]c(N(C)[C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000858814543 1075456445 /nfs/dbraw/zinc/45/64/45/1075456445.db2.gz BTCZUSNPUQCWIH-KVVVAFMNSA-N 1 2 386.460 -1.261 20 30 GAEDLO C#CCNc1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)[nH+]1 ZINC000858814543 1075456440 /nfs/dbraw/zinc/45/64/40/1075456440.db2.gz BTCZUSNPUQCWIH-KVVVAFMNSA-N 1 2 386.460 -1.261 20 30 GAEDLO C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000859029437 1075457516 /nfs/dbraw/zinc/45/75/16/1075457516.db2.gz HJMRVWQDLRUKFX-HNNXBMFYSA-N 1 2 387.506 -1.156 20 30 GAEDLO C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000859029438 1075457658 /nfs/dbraw/zinc/45/76/58/1075457658.db2.gz HJMRVWQDLRUKFX-OAHLLOKOSA-N 1 2 387.506 -1.156 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CC1 ZINC000859224584 1075458146 /nfs/dbraw/zinc/45/81/46/1075458146.db2.gz DUVRVNQKMUIIRH-JNNRSPCRSA-N 1 2 375.425 -1.009 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CC1 ZINC000859224584 1075458141 /nfs/dbraw/zinc/45/81/41/1075458141.db2.gz DUVRVNQKMUIIRH-JNNRSPCRSA-N 1 2 375.425 -1.009 20 30 GAEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000870070866 1075479595 /nfs/dbraw/zinc/47/95/95/1075479595.db2.gz RAJBDGCJXZHCGI-CYBMUJFWSA-N 1 2 380.401 -1.477 20 30 GAEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000870070867 1075479722 /nfs/dbraw/zinc/47/97/22/1075479722.db2.gz RAJBDGCJXZHCGI-ZDUSSCGKSA-N 1 2 380.401 -1.477 20 30 GAEDLO C#CCN(CC(=O)N1CCN(CCO)CC1)CC(=O)N1CC[NH+](CCO)CC1 ZINC000873979137 1075482925 /nfs/dbraw/zinc/48/29/25/1075482925.db2.gz DRFNGSLBSWISDI-UHFFFAOYSA-N 1 2 395.504 -2.805 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000891512827 1073568987 /nfs/dbraw/zinc/56/89/87/1073568987.db2.gz WJALQHUDBUHNLW-UHFFFAOYSA-N 1 2 387.506 -1.108 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000892605444 1073777639 /nfs/dbraw/zinc/77/76/39/1073777639.db2.gz SAEFNWDPWOHNNA-UHFFFAOYSA-N 1 2 387.506 -1.108 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000892605444 1073777636 /nfs/dbraw/zinc/77/76/36/1073777636.db2.gz SAEFNWDPWOHNNA-UHFFFAOYSA-N 1 2 387.506 -1.108 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000892760516 1073815428 /nfs/dbraw/zinc/81/54/28/1073815428.db2.gz WLXIHJCJRHBSMF-UHFFFAOYSA-N 1 2 387.506 -1.108 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000892760516 1073815418 /nfs/dbraw/zinc/81/54/18/1073815418.db2.gz WLXIHJCJRHBSMF-UHFFFAOYSA-N 1 2 387.506 -1.108 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000892838585 1073817037 /nfs/dbraw/zinc/81/70/37/1073817037.db2.gz OWAZDCMAEXCWAG-CABCVRRESA-N 1 2 387.506 -1.110 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000892838586 1073817112 /nfs/dbraw/zinc/81/71/12/1073817112.db2.gz OWAZDCMAEXCWAG-GJZGRUSLSA-N 1 2 387.506 -1.110 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000892838587 1073816812 /nfs/dbraw/zinc/81/68/12/1073816812.db2.gz OWAZDCMAEXCWAG-HUUCEWRRSA-N 1 2 387.506 -1.110 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000892838588 1073817069 /nfs/dbraw/zinc/81/70/69/1073817069.db2.gz OWAZDCMAEXCWAG-LSDHHAIUSA-N 1 2 387.506 -1.110 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000892871283 1073816917 /nfs/dbraw/zinc/81/69/17/1073816917.db2.gz UTBMHIZKLRLFSV-HNNXBMFYSA-N 1 2 386.522 -1.583 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000892871291 1073816952 /nfs/dbraw/zinc/81/69/52/1073816952.db2.gz UTBMHIZKLRLFSV-OAHLLOKOSA-N 1 2 386.522 -1.583 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000896633333 1074217385 /nfs/dbraw/zinc/21/73/85/1074217385.db2.gz SUARWWNOGGMDJY-HNNXBMFYSA-N 1 2 387.506 -1.108 20 30 GAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000896633345 1074217433 /nfs/dbraw/zinc/21/74/33/1074217433.db2.gz SUARWWNOGGMDJY-OAHLLOKOSA-N 1 2 387.506 -1.108 20 30 GAEDLO C=C1[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000911904886 1074493951 /nfs/dbraw/zinc/49/39/51/1074493951.db2.gz KRMRWOXEFHDKFZ-TVFCKZIOSA-N 1 2 390.484 -1.657 20 30 GAEDLO C=C1[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000911904886 1074493944 /nfs/dbraw/zinc/49/39/44/1074493944.db2.gz KRMRWOXEFHDKFZ-TVFCKZIOSA-N 1 2 390.484 -1.657 20 30 GAEDLO C=C1[C@H](C(=O)N2CC(N3CC[C@@H](O)C3)C2)[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911904886 1074493937 /nfs/dbraw/zinc/49/39/37/1074493937.db2.gz KRMRWOXEFHDKFZ-TVFCKZIOSA-N 1 2 390.484 -1.657 20 30 GAEDLO C=C1[C@H](C(=O)N2CC(N3CC[C@@H](O)C3)C2)[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911904886 1074493933 /nfs/dbraw/zinc/49/39/33/1074493933.db2.gz KRMRWOXEFHDKFZ-TVFCKZIOSA-N 1 2 390.484 -1.657 20 30 GAEDLO C#CCN(CC(=O)N1CCN(C)C[C@@H]1CO)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912750823 1074500224 /nfs/dbraw/zinc/50/02/24/1074500224.db2.gz ODGQROSHHXRUDE-IAGOWNOFSA-N 1 2 395.504 -2.809 20 30 GAEDLO C#CCN(CC(=O)N1CCN(C)C[C@@H]1CO)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912750823 1074500222 /nfs/dbraw/zinc/50/02/22/1074500222.db2.gz ODGQROSHHXRUDE-IAGOWNOFSA-N 1 2 395.504 -2.809 20 30 GAEDLO C#CCN(CC(=O)N1CCN(C)C[C@H]1CO)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912750824 1074500098 /nfs/dbraw/zinc/50/00/98/1074500098.db2.gz ODGQROSHHXRUDE-IRXDYDNUSA-N 1 2 395.504 -2.809 20 30 GAEDLO C#CCN(CC(=O)N1CCN(C)C[C@H]1CO)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912750824 1074500093 /nfs/dbraw/zinc/50/00/93/1074500093.db2.gz ODGQROSHHXRUDE-IRXDYDNUSA-N 1 2 395.504 -2.809 20 30 GAEDLO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000914535744 1074623041 /nfs/dbraw/zinc/62/30/41/1074623041.db2.gz GQEHNNGEXWQNAJ-CYBMUJFWSA-N 1 2 396.469 -1.076 20 30 GAEDLO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)C[NH+]1CCOCC1 ZINC000914535745 1074622977 /nfs/dbraw/zinc/62/29/77/1074622977.db2.gz GQEHNNGEXWQNAJ-ZDUSSCGKSA-N 1 2 396.469 -1.076 20 30 GAEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(NC(=O)COC)CC2)c1=O ZINC000917459883 1074652239 /nfs/dbraw/zinc/65/22/39/1074652239.db2.gz QEKCBHRDCKJXBC-UHFFFAOYSA-N 1 2 393.444 -1.272 20 30 GAEDLO C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000931874922 1075716089 /nfs/dbraw/zinc/71/60/89/1075716089.db2.gz RBWSFTJTULCFLG-SJORKVTESA-N 1 2 378.473 -1.240 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC1 ZINC000932037714 1075717196 /nfs/dbraw/zinc/71/71/96/1075717196.db2.gz CCLCTYZKMCUGKX-HNNXBMFYSA-N 1 2 392.456 -1.318 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC1 ZINC000932037714 1075717193 /nfs/dbraw/zinc/71/71/93/1075717193.db2.gz CCLCTYZKMCUGKX-HNNXBMFYSA-N 1 2 392.456 -1.318 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC1 ZINC000932037715 1075717186 /nfs/dbraw/zinc/71/71/86/1075717186.db2.gz CCLCTYZKMCUGKX-OAHLLOKOSA-N 1 2 392.456 -1.318 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC1 ZINC000932037715 1075717183 /nfs/dbraw/zinc/71/71/83/1075717183.db2.gz CCLCTYZKMCUGKX-OAHLLOKOSA-N 1 2 392.456 -1.318 20 30 GAEDLO O=C(C#CC1CC1)N1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC000969642270 1073428710 /nfs/dbraw/zinc/42/87/10/1073428710.db2.gz RMODRXJOYSKGAC-BDXSIMOUSA-N 1 2 391.468 -1.033 20 30 GAEDLO O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055633 1073774410 /nfs/dbraw/zinc/77/44/10/1073774410.db2.gz RMODRXJOYSKGAC-TVFCKZIOSA-N 1 2 391.468 -1.033 20 30 GAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070278131 1073535523 /nfs/dbraw/zinc/53/55/23/1073535523.db2.gz QTNIIPGDHLENEZ-MQYQWHSLSA-N 1 2 388.432 -1.167 20 30 GAEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077018640 1074440275 /nfs/dbraw/zinc/44/02/75/1074440275.db2.gz ZBFAADFHTCBVON-FPCVCCKLSA-N 1 2 392.456 -1.274 20 30 GAEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077018640 1074440270 /nfs/dbraw/zinc/44/02/70/1074440270.db2.gz ZBFAADFHTCBVON-FPCVCCKLSA-N 1 2 392.456 -1.274 20 30 GAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077698845 1074750217 /nfs/dbraw/zinc/75/02/17/1074750217.db2.gz CCSDEEVFUBDOJF-TUVASFSCSA-N 1 2 378.429 -1.664 20 30 GAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077698845 1074750211 /nfs/dbraw/zinc/75/02/11/1074750211.db2.gz CCSDEEVFUBDOJF-TUVASFSCSA-N 1 2 378.429 -1.664 20 30 GAEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077822887 1074773803 /nfs/dbraw/zinc/77/38/03/1074773803.db2.gz IIOYAHZQQFEHTQ-HWMZRRJGSA-N 1 2 392.456 -1.274 20 30 GAEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077822887 1074773798 /nfs/dbraw/zinc/77/37/98/1074773798.db2.gz IIOYAHZQQFEHTQ-HWMZRRJGSA-N 1 2 392.456 -1.274 20 30 GAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1OC ZINC001082151061 1074897287 /nfs/dbraw/zinc/89/72/87/1074897287.db2.gz ZKWAIZZNIREIHL-LVQVYYBASA-N 1 2 392.456 -1.010 20 30 GAEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1OC ZINC001082151061 1074897285 /nfs/dbraw/zinc/89/72/85/1074897285.db2.gz ZKWAIZZNIREIHL-LVQVYYBASA-N 1 2 392.456 -1.010 20 30 GAEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001083471001 1074360223 /nfs/dbraw/zinc/36/02/23/1074360223.db2.gz ZBFAADFHTCBVON-WCVJEAGWSA-N 1 2 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386.522 -1.585 20 30 GAEDLO C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001348432219 1075183351 /nfs/dbraw/zinc/18/33/51/1075183351.db2.gz BUQYCOVJTALHNE-CYBMUJFWSA-N 1 2 383.412 -1.128 20 30 GAEDLO C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001348432220 1075183358 /nfs/dbraw/zinc/18/33/58/1075183358.db2.gz BUQYCOVJTALHNE-ZDUSSCGKSA-N 1 2 383.412 -1.128 20 30 GAEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC001351854119 1075218086 /nfs/dbraw/zinc/21/80/86/1075218086.db2.gz HZRHGQICDFFOJO-INIZCTEOSA-N 1 2 393.488 -1.009 20 30 GAEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC001351854120 1075218048 /nfs/dbraw/zinc/21/80/48/1075218048.db2.gz HZRHGQICDFFOJO-MRXNPFEDSA-N 1 2 393.488 -1.009 20 30 GAEDLO C#CC[N@H+](CCS(=O)(=O)NC)C1CCN(CCS(=O)(=O)NC)CC1 ZINC001352935688 1075225205 /nfs/dbraw/zinc/22/52/05/1075225205.db2.gz RKNCSCSZBGCOMF-UHFFFAOYSA-N 1 2 380.536 -1.516 20 30 GAEDLO C#CC[N@@H+](CCS(=O)(=O)NC)C1CCN(CCS(=O)(=O)NC)CC1 ZINC001352935688 1075225201 /nfs/dbraw/zinc/22/52/01/1075225201.db2.gz RKNCSCSZBGCOMF-UHFFFAOYSA-N 1 2 380.536 -1.516 20 30 GAEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)NC)CC1 ZINC001507724398 1075296583 /nfs/dbraw/zinc/29/65/83/1075296583.db2.gz DXIJEDKXQIDXBR-UHFFFAOYSA-N 1 2 392.489 -1.017 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001573285699 946785127 /nfs/dbraw/zinc/78/51/27/946785127.db2.gz LKPPYUSXMNRBKJ-HZSPNIEDSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001573285699 946785119 /nfs/dbraw/zinc/78/51/19/946785119.db2.gz LKPPYUSXMNRBKJ-HZSPNIEDSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573286063 946794408 /nfs/dbraw/zinc/79/44/08/946794408.db2.gz SPRNZWNGSPNOEA-CYBMUJFWSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573286063 946794401 /nfs/dbraw/zinc/79/44/01/946794401.db2.gz SPRNZWNGSPNOEA-CYBMUJFWSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573286064 946795346 /nfs/dbraw/zinc/79/53/46/946795346.db2.gz SPRNZWNGSPNOEA-ZDUSSCGKSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573286064 946795339 /nfs/dbraw/zinc/79/53/39/946795339.db2.gz SPRNZWNGSPNOEA-ZDUSSCGKSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573286157 946797749 /nfs/dbraw/zinc/79/77/49/946797749.db2.gz VDFUPKVUSKXENQ-GFCCVEGCSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573286157 946797743 /nfs/dbraw/zinc/79/77/43/946797743.db2.gz VDFUPKVUSKXENQ-GFCCVEGCSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573286158 946797412 /nfs/dbraw/zinc/79/74/12/946797412.db2.gz VDFUPKVUSKXENQ-LBPRGKRZSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573286158 946797400 /nfs/dbraw/zinc/79/74/00/946797400.db2.gz VDFUPKVUSKXENQ-LBPRGKRZSA-N 1 2 386.416 -1.235 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001573286361 946803135 /nfs/dbraw/zinc/80/31/35/946803135.db2.gz ZRFANWNZBOGMCE-HZSPNIEDSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001573286361 946803122 /nfs/dbraw/zinc/80/31/22/946803122.db2.gz ZRFANWNZBOGMCE-HZSPNIEDSA-N 1 2 383.416 -1.580 20 30 GAEDLO N#CCNC(=O)C[NH+]1CCC(CO)(NC(=O)CCOCc2cn[nH]n2)CC1 ZINC001577706572 1075324718 /nfs/dbraw/zinc/32/47/18/1075324718.db2.gz LPPZVAXGNLPCPE-UHFFFAOYSA-N 1 2 379.421 -1.706 20 30 GAEDLO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1 ZINC001577706821 1075324747 /nfs/dbraw/zinc/32/47/47/1075324747.db2.gz VQNKGGLYGLTRFK-KRWDZBQOSA-N 1 2 384.400 -1.327 20 30 GAEDLO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1 ZINC001577706821 1075324743 /nfs/dbraw/zinc/32/47/43/1075324743.db2.gz VQNKGGLYGLTRFK-KRWDZBQOSA-N 1 2 384.400 -1.327 20 30 GAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1 ZINC001577706822 1075324653 /nfs/dbraw/zinc/32/46/53/1075324653.db2.gz VQNKGGLYGLTRFK-QGZVFWFLSA-N 1 2 384.400 -1.327 20 30 GAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1 ZINC001577706822 1075324648 /nfs/dbraw/zinc/32/46/48/1075324648.db2.gz VQNKGGLYGLTRFK-QGZVFWFLSA-N 1 2 384.400 -1.327 20 30 GAEDLO C[NH+](C)CCCN(CCC#N)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001578990783 1075460583 /nfs/dbraw/zinc/46/05/83/1075460583.db2.gz KGZYLPKXZAMEJW-UHFFFAOYSA-N 1 2 375.393 -1.177 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=CN(C)S(=O)(=O)N=C2C)CC1 ZINC001584999906 1076052577 /nfs/dbraw/zinc/05/25/77/1076052577.db2.gz DRQDEWVUULTAFG-UHFFFAOYSA-N 1 2 381.458 -1.195 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=CN(C)S(=O)(=O)N=C2C)CC1 ZINC001584999906 1076052572 /nfs/dbraw/zinc/05/25/72/1076052572.db2.gz DRQDEWVUULTAFG-UHFFFAOYSA-N 1 2 381.458 -1.195 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001588351155 1076058956 /nfs/dbraw/zinc/05/89/56/1076058956.db2.gz GVQFWZSXWNNGQA-JSGCOSHPSA-N 1 2 386.416 -1.501 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001588351155 1076058954 /nfs/dbraw/zinc/05/89/54/1076058954.db2.gz GVQFWZSXWNNGQA-JSGCOSHPSA-N 1 2 386.416 -1.501 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001588351156 1076058761 /nfs/dbraw/zinc/05/87/61/1076058761.db2.gz GVQFWZSXWNNGQA-OCCSQVGLSA-N 1 2 386.416 -1.501 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001588351156 1076058755 /nfs/dbraw/zinc/05/87/55/1076058755.db2.gz GVQFWZSXWNNGQA-OCCSQVGLSA-N 1 2 386.416 -1.501 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001588351253 1076059477 /nfs/dbraw/zinc/05/94/77/1076059477.db2.gz LKPPYUSXMNRBKJ-RDBSUJKOSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001588351253 1076059473 /nfs/dbraw/zinc/05/94/73/1076059473.db2.gz LKPPYUSXMNRBKJ-RDBSUJKOSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351315 1076059217 /nfs/dbraw/zinc/05/92/17/1076059217.db2.gz OGIQZWWEZAFDPU-AGIUHOORSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351315 1076059214 /nfs/dbraw/zinc/05/92/14/1076059214.db2.gz OGIQZWWEZAFDPU-AGIUHOORSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001588351316 1076059143 /nfs/dbraw/zinc/05/91/43/1076059143.db2.gz OGIQZWWEZAFDPU-FRRDWIJNSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001588351316 1076059138 /nfs/dbraw/zinc/05/91/38/1076059138.db2.gz OGIQZWWEZAFDPU-FRRDWIJNSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001588351336 1076059160 /nfs/dbraw/zinc/05/91/60/1076059160.db2.gz OSFNSEPNIKRZHG-ILXRZTDVSA-N 1 2 398.427 -1.406 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001588351336 1076059156 /nfs/dbraw/zinc/05/91/56/1076059156.db2.gz OSFNSEPNIKRZHG-ILXRZTDVSA-N 1 2 398.427 -1.406 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001588351365 1076059189 /nfs/dbraw/zinc/05/91/89/1076059189.db2.gz QJGXVBSMHBGZAN-ILXRZTDVSA-N 1 2 398.427 -1.406 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001588351365 1076059182 /nfs/dbraw/zinc/05/91/82/1076059182.db2.gz QJGXVBSMHBGZAN-ILXRZTDVSA-N 1 2 398.427 -1.406 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351406 1076059237 /nfs/dbraw/zinc/05/92/37/1076059237.db2.gz SPGJFSJPRAPSKK-ILXRZTDVSA-N 1 2 397.443 -1.272 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351406 1076059231 /nfs/dbraw/zinc/05/92/31/1076059231.db2.gz SPGJFSJPRAPSKK-ILXRZTDVSA-N 1 2 397.443 -1.272 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001588351407 1076059450 /nfs/dbraw/zinc/05/94/50/1076059450.db2.gz SPGJFSJPRAPSKK-QLFBSQMISA-N 1 2 397.443 -1.272 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001588351407 1076059445 /nfs/dbraw/zinc/05/94/45/1076059445.db2.gz SPGJFSJPRAPSKK-QLFBSQMISA-N 1 2 397.443 -1.272 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001588351414 1076059255 /nfs/dbraw/zinc/05/92/55/1076059255.db2.gz SXUWSMPSPHLHGF-JSGCOSHPSA-N 1 2 385.432 -1.048 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001588351414 1076059249 /nfs/dbraw/zinc/05/92/49/1076059249.db2.gz SXUWSMPSPHLHGF-JSGCOSHPSA-N 1 2 385.432 -1.048 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001588351415 1076059302 /nfs/dbraw/zinc/05/93/02/1076059302.db2.gz SXUWSMPSPHLHGF-OCCSQVGLSA-N 1 2 385.432 -1.048 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001588351415 1076059296 /nfs/dbraw/zinc/05/92/96/1076059296.db2.gz SXUWSMPSPHLHGF-OCCSQVGLSA-N 1 2 385.432 -1.048 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001588351510 1076059279 /nfs/dbraw/zinc/05/92/79/1076059279.db2.gz XOKFXGDEKBOMLJ-QLFBSQMISA-N 1 2 398.427 -1.406 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001588351510 1076059274 /nfs/dbraw/zinc/05/92/74/1076059274.db2.gz XOKFXGDEKBOMLJ-QLFBSQMISA-N 1 2 398.427 -1.406 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351579 1076059527 /nfs/dbraw/zinc/05/95/27/1076059527.db2.gz ZRFANWNZBOGMCE-RDBSUJKOSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351579 1076059524 /nfs/dbraw/zinc/05/95/24/1076059524.db2.gz ZRFANWNZBOGMCE-RDBSUJKOSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[NH+]1CCC(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001588352021 1076059864 /nfs/dbraw/zinc/05/98/64/1076059864.db2.gz RFLNPXAMHQEKCZ-UHFFFAOYSA-N 1 2 384.400 -1.143 20 30 GAEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001588352419 1076059815 /nfs/dbraw/zinc/05/98/15/1076059815.db2.gz JWAWZBLUDARWRF-LLVKDONJSA-N 1 2 387.404 -1.474 20 30 GAEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001588352419 1076059808 /nfs/dbraw/zinc/05/98/08/1076059808.db2.gz JWAWZBLUDARWRF-LLVKDONJSA-N 1 2 387.404 -1.474 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001588352420 1076059784 /nfs/dbraw/zinc/05/97/84/1076059784.db2.gz JWAWZBLUDARWRF-NSHDSACASA-N 1 2 387.404 -1.474 20 30 GAEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001588352420 1076059779 /nfs/dbraw/zinc/05/97/79/1076059779.db2.gz JWAWZBLUDARWRF-NSHDSACASA-N 1 2 387.404 -1.474 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001588352439 1076059930 /nfs/dbraw/zinc/05/99/30/1076059930.db2.gz KQOHQRBXMMQOSR-OLZOCXBDSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001588352439 1076059923 /nfs/dbraw/zinc/05/99/23/1076059923.db2.gz KQOHQRBXMMQOSR-OLZOCXBDSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001588352440 1076060014 /nfs/dbraw/zinc/06/00/14/1076060014.db2.gz KQOHQRBXMMQOSR-STQMWFEESA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001588352440 1076060011 /nfs/dbraw/zinc/06/00/11/1076060011.db2.gz KQOHQRBXMMQOSR-STQMWFEESA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001588352529 1076060041 /nfs/dbraw/zinc/06/00/41/1076060041.db2.gz NJISKFNVJOMOSU-JSGCOSHPSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001588352529 1076060038 /nfs/dbraw/zinc/06/00/38/1076060038.db2.gz NJISKFNVJOMOSU-JSGCOSHPSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001588352530 1076059889 /nfs/dbraw/zinc/05/98/89/1076059889.db2.gz NJISKFNVJOMOSU-OCCSQVGLSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001588352530 1076059882 /nfs/dbraw/zinc/05/98/82/1076059882.db2.gz NJISKFNVJOMOSU-OCCSQVGLSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588352650 1076060067 /nfs/dbraw/zinc/06/00/67/1076060067.db2.gz RDWFDYLLLXRELS-ZDUSSCGKSA-N 1 2 385.432 -1.591 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001588352650 1076060062 /nfs/dbraw/zinc/06/00/62/1076060062.db2.gz RDWFDYLLLXRELS-ZDUSSCGKSA-N 1 2 385.432 -1.591 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001588352790 1076059993 /nfs/dbraw/zinc/05/99/93/1076059993.db2.gz WQUFKEPQNZMECJ-AWEZNQCLSA-N 1 2 385.432 -1.013 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001588352790 1076059989 /nfs/dbraw/zinc/05/99/89/1076059989.db2.gz WQUFKEPQNZMECJ-AWEZNQCLSA-N 1 2 385.432 -1.013 20 30 GAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 ZINC001588353433 1076060393 /nfs/dbraw/zinc/06/03/93/1076060393.db2.gz SAQJWBGXZVXIMY-LERXQTSPSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 ZINC001588353433 1076060389 /nfs/dbraw/zinc/06/03/89/1076060389.db2.gz SAQJWBGXZVXIMY-LERXQTSPSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 ZINC001588353434 1076060375 /nfs/dbraw/zinc/06/03/75/1076060375.db2.gz SAQJWBGXZVXIMY-ZLKJLUDKSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 ZINC001588353434 1076060370 /nfs/dbraw/zinc/06/03/70/1076060370.db2.gz SAQJWBGXZVXIMY-ZLKJLUDKSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588354381 1076061541 /nfs/dbraw/zinc/06/15/41/1076061541.db2.gz LPNWXRGZSIEXDO-KRWDZBQOSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588354381 1076061534 /nfs/dbraw/zinc/06/15/34/1076061534.db2.gz LPNWXRGZSIEXDO-KRWDZBQOSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588354383 1076061566 /nfs/dbraw/zinc/06/15/66/1076061566.db2.gz LPNWXRGZSIEXDO-QGZVFWFLSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001588354383 1076061561 /nfs/dbraw/zinc/06/15/61/1076061561.db2.gz LPNWXRGZSIEXDO-QGZVFWFLSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588354714 1076062137 /nfs/dbraw/zinc/06/21/37/1076062137.db2.gz WYVVAVDBUCBKQL-KRWDZBQOSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588354714 1076062130 /nfs/dbraw/zinc/06/21/30/1076062130.db2.gz WYVVAVDBUCBKQL-KRWDZBQOSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588354715 1076062021 /nfs/dbraw/zinc/06/20/21/1076062021.db2.gz WYVVAVDBUCBKQL-QGZVFWFLSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588354715 1076062016 /nfs/dbraw/zinc/06/20/16/1076062016.db2.gz WYVVAVDBUCBKQL-QGZVFWFLSA-N 1 2 386.416 -1.499 20 30 GAEDLO C#CCO[C@H](C)C(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001588357590 1076062400 /nfs/dbraw/zinc/06/24/00/1076062400.db2.gz NNWSQUDCFPHMSN-CYBMUJFWSA-N 1 2 385.432 -1.067 20 30 GAEDLO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001588357591 1076062579 /nfs/dbraw/zinc/06/25/79/1076062579.db2.gz NNWSQUDCFPHMSN-ZDUSSCGKSA-N 1 2 385.432 -1.067 20 30 GAEDLO C#CCOCCC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001588361492 1076062887 /nfs/dbraw/zinc/06/28/87/1076062887.db2.gz ODHUXYPPFHVLNO-UHFFFAOYSA-N 1 2 385.432 -1.065 20 30 GAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001588655181 1076063718 /nfs/dbraw/zinc/06/37/18/1076063718.db2.gz XSTPXDVNKAVERI-HZSPNIEDSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001588655181 1076063711 /nfs/dbraw/zinc/06/37/11/1076063711.db2.gz XSTPXDVNKAVERI-HZSPNIEDSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)C1=O ZINC001588655182 1076063787 /nfs/dbraw/zinc/06/37/87/1076063787.db2.gz XSTPXDVNKAVERI-MCIONIFRSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)C1=O ZINC001588655182 1076063783 /nfs/dbraw/zinc/06/37/83/1076063783.db2.gz XSTPXDVNKAVERI-MCIONIFRSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001588655183 1076063872 /nfs/dbraw/zinc/06/38/72/1076063872.db2.gz XSTPXDVNKAVERI-MGPQQGTHSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001588655183 1076063869 /nfs/dbraw/zinc/06/38/69/1076063869.db2.gz XSTPXDVNKAVERI-MGPQQGTHSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)C1=O ZINC001588655184 1076063822 /nfs/dbraw/zinc/06/38/22/1076063822.db2.gz XSTPXDVNKAVERI-RDBSUJKOSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)C1=O ZINC001588655184 1076063816 /nfs/dbraw/zinc/06/38/16/1076063816.db2.gz XSTPXDVNKAVERI-RDBSUJKOSA-N 1 2 386.416 -1.243 20 30 GAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)CC1 ZINC001588743138 1076064572 /nfs/dbraw/zinc/06/45/72/1076064572.db2.gz YCUFMCVZQJBKGO-CYBMUJFWSA-N 1 2 397.505 -1.268 20 30 GAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C)CC1 ZINC001588743139 1076064655 /nfs/dbraw/zinc/06/46/55/1076064655.db2.gz YCUFMCVZQJBKGO-ZDUSSCGKSA-N 1 2 397.505 -1.268 20 30 GAEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)C1 ZINC001589633290 1076071540 /nfs/dbraw/zinc/07/15/40/1076071540.db2.gz VJEUFBUWZRVJLC-LLVKDONJSA-N 1 2 388.436 -1.010 20 30 GAEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)C1 ZINC001589633290 1076071534 /nfs/dbraw/zinc/07/15/34/1076071534.db2.gz VJEUFBUWZRVJLC-LLVKDONJSA-N 1 2 388.436 -1.010 20 30 GAEDLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)C1 ZINC001589633291 1076071701 /nfs/dbraw/zinc/07/17/01/1076071701.db2.gz VJEUFBUWZRVJLC-NSHDSACASA-N 1 2 388.436 -1.010 20 30 GAEDLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)C1 ZINC001589633291 1076071696 /nfs/dbraw/zinc/07/16/96/1076071696.db2.gz VJEUFBUWZRVJLC-NSHDSACASA-N 1 2 388.436 -1.010 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001602721373 1076271922 /nfs/dbraw/zinc/27/19/22/1076271922.db2.gz GSGZKOIAYRJQHQ-AGIUHOORSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001602721373 1076271917 /nfs/dbraw/zinc/27/19/17/1076271917.db2.gz GSGZKOIAYRJQHQ-AGIUHOORSA-N 1 2 383.416 -1.580 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001602721395 1076272003 /nfs/dbraw/zinc/27/20/03/1076272003.db2.gz HVPLCDJMGPFISW-JSGCOSHPSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001602721395 1076271999 /nfs/dbraw/zinc/27/19/99/1076271999.db2.gz HVPLCDJMGPFISW-JSGCOSHPSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001602721396 1076271973 /nfs/dbraw/zinc/27/19/73/1076271973.db2.gz HVPLCDJMGPFISW-OCCSQVGLSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001602721396 1076271971 /nfs/dbraw/zinc/27/19/71/1076271971.db2.gz HVPLCDJMGPFISW-OCCSQVGLSA-N 1 2 385.432 -1.015 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001602721406 1076272289 /nfs/dbraw/zinc/27/22/89/1076272289.db2.gz IGHZNXGEAOJBQG-AWEZNQCLSA-N 1 2 385.432 -1.013 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001602721406 1076272284 /nfs/dbraw/zinc/27/22/84/1076272284.db2.gz IGHZNXGEAOJBQG-AWEZNQCLSA-N 1 2 385.432 -1.013 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602721657 1076272358 /nfs/dbraw/zinc/27/23/58/1076272358.db2.gz RQPSLBQMXFTWFP-OLZOCXBDSA-N 1 2 385.432 -1.593 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602721657 1076272352 /nfs/dbraw/zinc/27/23/52/1076272352.db2.gz RQPSLBQMXFTWFP-OLZOCXBDSA-N 1 2 385.432 -1.593 20 30 GAEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602721658 1076272487 /nfs/dbraw/zinc/27/24/87/1076272487.db2.gz RQPSLBQMXFTWFP-STQMWFEESA-N 1 2 385.432 -1.593 20 30 GAEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001602721658 1076272482 /nfs/dbraw/zinc/27/24/82/1076272482.db2.gz RQPSLBQMXFTWFP-STQMWFEESA-N 1 2 385.432 -1.593 20 30 GAEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001602722446 1076272302 /nfs/dbraw/zinc/27/23/02/1076272302.db2.gz ROYYBFGKKNMQKU-HNNXBMFYSA-N 1 2 399.455 -1.027 20 30 GAEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001602722447 1076272395 /nfs/dbraw/zinc/27/23/95/1076272395.db2.gz ROYYBFGKKNMQKU-OAHLLOKOSA-N 1 2 399.455 -1.027 20 30 GAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 ZINC001602722480 1076272323 /nfs/dbraw/zinc/27/23/23/1076272323.db2.gz UEZJBMCFZMJGIG-LERXQTSPSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 ZINC001602722480 1076272320 /nfs/dbraw/zinc/27/23/20/1076272320.db2.gz UEZJBMCFZMJGIG-LERXQTSPSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 ZINC001602722481 1076272451 /nfs/dbraw/zinc/27/24/51/1076272451.db2.gz UEZJBMCFZMJGIG-ZLKJLUDKSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 ZINC001602722481 1076272448 /nfs/dbraw/zinc/27/24/48/1076272448.db2.gz UEZJBMCFZMJGIG-ZLKJLUDKSA-N 1 2 386.416 -1.238 20 30 GAEDLO C#CCOCCC(=O)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602729164 1076272764 /nfs/dbraw/zinc/27/27/64/1076272764.db2.gz HONFJKPPULALMB-UHFFFAOYSA-N 1 2 385.432 -1.065 20 30 GAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001602863360 1076273031 /nfs/dbraw/zinc/27/30/31/1076273031.db2.gz VGXNUMXUGFHKQP-MCIONIFRSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001602863361 1076273245 /nfs/dbraw/zinc/27/32/45/1076273245.db2.gz VGXNUMXUGFHKQP-RDBSUJKOSA-N 1 2 386.416 -1.243 20 30 GAEDLO C=CCN1C(=O)C(=O)N(CC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)C1=O ZINC001623682663 1076453664 /nfs/dbraw/zinc/45/36/64/1076453664.db2.gz RGHHMSGMEQCTAW-GFCCVEGCSA-N 1 2 378.385 -1.141 20 30 GAEDLO C=CCN1C(=O)C(=O)N(CC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)C1=O ZINC001623682664 1076453678 /nfs/dbraw/zinc/45/36/78/1076453678.db2.gz RGHHMSGMEQCTAW-LBPRGKRZSA-N 1 2 378.385 -1.141 20 30 GAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001627015330 1076461338 /nfs/dbraw/zinc/46/13/38/1076461338.db2.gz OVVUEAXYAHVSQH-UHFFFAOYSA-N 1 2 375.429 -1.213 20 30 GAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC001627015330 1076461333 /nfs/dbraw/zinc/46/13/33/1076461333.db2.gz OVVUEAXYAHVSQH-UHFFFAOYSA-N 1 2 375.429 -1.213 20 30 GAEDLO CCOC(=O)CON=C(C(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccn[nH]1 ZINC001652306717 1076535653 /nfs/dbraw/zinc/53/56/53/1076535653.db2.gz AHTOARUAJMOLFK-UHFFFAOYSA-N 1 2 394.432 -1.026 20 30 GAEDLO CCOC(=O)CON=C(C(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccn[nH]1 ZINC001652306717 1076535650 /nfs/dbraw/zinc/53/56/50/1076535650.db2.gz AHTOARUAJMOLFK-UHFFFAOYSA-N 1 2 394.432 -1.026 20 30 GAEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001690122594 1076607657 /nfs/dbraw/zinc/60/76/57/1076607657.db2.gz WIZQIFOGFKBYTJ-CYBMUJFWSA-N 1 2 395.489 -1.466 20 30 GAEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001690122595 1076607720 /nfs/dbraw/zinc/60/77/20/1076607720.db2.gz WIZQIFOGFKBYTJ-ZDUSSCGKSA-N 1 2 395.489 -1.466 20 30 GAEDLO