smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000004217208 212146840 /nfs/dbraw/zinc/14/68/40/212146840.db2.gz XZOCIZHAHWDUPU-QWRGUYRKSA-N 1 2 389.372 -2.396 20 0 in-man GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000004217208 212146837 /nfs/dbraw/zinc/14/68/37/212146837.db2.gz XZOCIZHAHWDUPU-QWRGUYRKSA-N 1 2 389.372 -2.396 20 0 in-man GAADLO Cn1c2ncn(CC(=O)NCC(C)(C)[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000021240970 1074752668 /nfs/dbraw/zinc/75/26/68/1074752668.db2.gz REFHVLVWVGANQV-UHFFFAOYSA-N 1 2 378.433 -1.339 20 0 GAADLO O=C(CN1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1)N1CCNC(=O)C1 ZINC000021315269 1074752695 /nfs/dbraw/zinc/75/26/95/1074752695.db2.gz VPYPEWHLBAHWIJ-UHFFFAOYSA-N 1 2 380.449 -3.089 20 0 GAADLO O=C(CN1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1)N1CCNC(=O)C1 ZINC000021315269 1074752688 /nfs/dbraw/zinc/75/26/88/1074752688.db2.gz VPYPEWHLBAHWIJ-UHFFFAOYSA-N 1 2 380.449 -3.089 20 0 GAADLO Cn1c(CN2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000022846419 1076445132 /nfs/dbraw/zinc/44/51/32/1076445132.db2.gz USWZOIOFMFEOPN-UHFFFAOYSA-N 1 2 390.444 -2.201 20 0 GAADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(S(C)(=O)=O)CC1)c(=O)n2C ZINC000023004325 1074752793 /nfs/dbraw/zinc/75/27/93/1074752793.db2.gz WRZVHNGRWMSXEU-UHFFFAOYSA-N 1 2 384.462 -1.599 20 0 GAADLO COCCNC(=O)CN1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000023304453 1073581547 /nfs/dbraw/zinc/58/15/47/1073581547.db2.gz GMJBAJBWVKNNTO-UHFFFAOYSA-N 1 2 399.536 -1.406 20 0 GAADLO O=C(CN1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)CC1)NC(=O)NC1CC1 ZINC000023699277 1074753114 /nfs/dbraw/zinc/75/31/14/1074753114.db2.gz VHTXXGWYQXJDCO-UHFFFAOYSA-N 1 2 380.449 -1.030 20 0 GAADLO O=C(CN1CCC[N@H+](CC(=O)NC(=O)NC2CC2)CC1)NC(=O)NC1CC1 ZINC000023699277 1074753106 /nfs/dbraw/zinc/75/31/06/1074753106.db2.gz VHTXXGWYQXJDCO-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/33/88/79/1074338879.db2.gz CIHPPWPRCNOGDM-GFCCVEGCSA-N 1 2 378.433 -1.339 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000030338621 530169013 /nfs/dbraw/zinc/16/90/13/530169013.db2.gz HVTPBIDHSVJLSI-UHFFFAOYSA-N 1 2 395.551 -1.173 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000030686174 1073456963 /nfs/dbraw/zinc/45/69/63/1073456963.db2.gz JJQHIDSAOXLRJY-UHFFFAOYSA-N 1 2 384.400 -1.428 20 0 GAADLO Cc1cc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000030697942 1074376902 /nfs/dbraw/zinc/37/69/02/1074376902.db2.gz MXDGQFNMGQFRHW-UHFFFAOYSA-N 1 2 387.462 -1.002 20 0 GAADLO CN(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032439671 530107260 /nfs/dbraw/zinc/10/72/60/530107260.db2.gz OUOLAWAEQOKYDK-UHFFFAOYSA-N 1 2 377.492 -1.071 20 0 GAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC000033822000 1076451391 /nfs/dbraw/zinc/45/13/91/1076451391.db2.gz DJLHRAHTTSWYAW-AVGNSLFASA-N 1 2 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GAADLO COCCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000269572027 1075547094 /nfs/dbraw/zinc/54/70/94/1075547094.db2.gz MUQLVNWMYFBPML-UHFFFAOYSA-N 1 2 394.476 -1.056 20 0 GAADLO Cn1c2ncn(CCC(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2c(=O)n(C)c1=O ZINC000269577676 1075546996 /nfs/dbraw/zinc/54/69/96/1075546996.db2.gz XDUGKNFIAPGYGL-GFCCVEGCSA-N 1 2 375.433 -2.060 20 0 GAADLO Cn1c2ncn(CCC(=O)NC[C@H]3C[NH+]4CCN3CC4)c2c(=O)n(C)c1=O ZINC000269578358 1075547064 /nfs/dbraw/zinc/54/70/64/1075547064.db2.gz XDUGKNFIAPGYGL-LBPRGKRZSA-N 1 2 375.433 -2.060 20 0 GAADLO COC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000269658043 530095781 /nfs/dbraw/zinc/09/57/81/530095781.db2.gz WSNJDCBQPUJUKV-GFCCVEGCSA-N 1 2 393.487 -1.352 20 0 GAADLO COC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000269658045 530095452 /nfs/dbraw/zinc/09/54/52/530095452.db2.gz WSNJDCBQPUJUKV-LBPRGKRZSA-N 1 2 393.487 -1.352 20 0 GAADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000269671406 530095805 /nfs/dbraw/zinc/09/58/05/530095805.db2.gz OYVGROWWYGVNFX-UHFFFAOYSA-N 1 2 377.488 -1.095 20 0 GAADLO CCn1cc(C(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000270221084 1075548951 /nfs/dbraw/zinc/54/89/51/1075548951.db2.gz GTNQGMSYIVDFDU-UHFFFAOYSA-N 1 2 398.489 -1.278 20 0 GAADLO CCS(=O)(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000270345522 1075550743 /nfs/dbraw/zinc/55/07/43/1075550743.db2.gz RYUNUMYTRSTCTF-UHFFFAOYSA-N 1 2 398.489 -1.099 20 0 GAADLO CCS(=O)(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000270345522 1075550737 /nfs/dbraw/zinc/55/07/37/1075550737.db2.gz RYUNUMYTRSTCTF-UHFFFAOYSA-N 1 2 398.489 -1.099 20 0 GAADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000270759278 1075551915 /nfs/dbraw/zinc/55/19/15/1075551915.db2.gz XCWAWOFLFXXHLB-CYBMUJFWSA-N 1 2 397.457 -1.608 20 0 GAADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000270759281 1075551830 /nfs/dbraw/zinc/55/18/30/1075551830.db2.gz XCWAWOFLFXXHLB-ZDUSSCGKSA-N 1 2 397.457 -1.608 20 0 GAADLO C[C@@H](O)C(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000270946024 1075552822 /nfs/dbraw/zinc/55/28/22/1075552822.db2.gz ZJAJWNMCUWNSJE-GFCCVEGCSA-N 1 2 378.433 -1.651 20 0 GAADLO C[C@H](O)C(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000270946027 1075552768 /nfs/dbraw/zinc/55/27/68/1075552768.db2.gz ZJAJWNMCUWNSJE-LBPRGKRZSA-N 1 2 378.433 -1.651 20 0 GAADLO Cn1cc(C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000271019911 1075553204 /nfs/dbraw/zinc/55/32/04/1075553204.db2.gz AQTQNHCBMFQUJR-UHFFFAOYSA-N 1 2 379.417 -2.413 20 0 GAADLO CC(C)OCCS(=O)(=O)N1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000271205590 1075553811 /nfs/dbraw/zinc/55/38/11/1075553811.db2.gz KAOXZTJXQOEVCS-UHFFFAOYSA-N 1 2 388.490 -1.044 20 0 GAADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000271611112 1075554950 /nfs/dbraw/zinc/55/49/50/1075554950.db2.gz CJEWTTBQDBVBSF-LLVKDONJSA-N 1 2 388.446 -1.658 20 0 GAADLO 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1074032790 /nfs/dbraw/zinc/03/27/90/1074032790.db2.gz VOKZNIQFTDXKMU-LBPRGKRZSA-N 1 2 398.489 -1.211 20 0 GAADLO C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1S(C)(=O)=O ZINC000272055562 1074032780 /nfs/dbraw/zinc/03/27/80/1074032780.db2.gz VOKZNIQFTDXKMU-LBPRGKRZSA-N 1 2 398.489 -1.211 20 0 GAADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)N1CCNC(=O)C1 ZINC000272057397 1074032936 /nfs/dbraw/zinc/03/29/36/1074032936.db2.gz OEFAJIILNDCEJR-UHFFFAOYSA-N 1 2 381.389 -2.542 20 0 GAADLO Cn1cnn(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1=O ZINC000272414486 1074034242 /nfs/dbraw/zinc/03/42/42/1074034242.db2.gz ZSGYQGVBBFSYFR-UHFFFAOYSA-N 1 2 388.432 -1.443 20 0 GAADLO Cn1cnn(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1=O ZINC000272414486 1074034236 /nfs/dbraw/zinc/03/42/36/1074034236.db2.gz ZSGYQGVBBFSYFR-UHFFFAOYSA-N 1 2 388.432 -1.443 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000272856918 1074036178 /nfs/dbraw/zinc/03/61/78/1074036178.db2.gz HYFBNWHEAWOTAS-UHFFFAOYSA-N 1 2 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COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC2 ZINC000274619392 1073400364 /nfs/dbraw/zinc/40/03/64/1073400364.db2.gz REECMRSSJFEVJI-UHFFFAOYSA-N 1 2 393.400 -1.367 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274749385 1073409936 /nfs/dbraw/zinc/40/99/36/1073409936.db2.gz MEGPWWLCWVWWNV-UHFFFAOYSA-N 1 2 389.460 -1.072 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274749385 1073409928 /nfs/dbraw/zinc/40/99/28/1073409928.db2.gz MEGPWWLCWVWWNV-UHFFFAOYSA-N 1 2 389.460 -1.072 20 0 GAADLO C[C@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@H](C)O)CC3)[nH+]cn2)CC1 ZINC000274773582 1073417424 /nfs/dbraw/zinc/41/74/24/1073417424.db2.gz VAJOYHQYANCAJX-KBPBESRZSA-N 1 2 392.460 -1.465 20 0 GAADLO C[C@@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@H](C)O)CC3)[nH+]cn2)CC1 ZINC000274773585 1073417449 /nfs/dbraw/zinc/41/74/49/1073417449.db2.gz VAJOYHQYANCAJX-OKILXGFUSA-N 1 2 392.460 -1.465 20 0 GAADLO C[C@@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@H](C)O)CC3)nc[nH+]2)CC1 ZINC000274773585 1073417440 /nfs/dbraw/zinc/41/74/40/1073417440.db2.gz VAJOYHQYANCAJX-OKILXGFUSA-N 1 2 392.460 -1.465 20 0 GAADLO C[C@@H](O)C(=O)N1CCN(c2cc(N3CCN(C(=O)[C@@H](C)O)CC3)[nH+]cn2)CC1 ZINC000274773587 1073417463 /nfs/dbraw/zinc/41/74/63/1073417463.db2.gz VAJOYHQYANCAJX-ZIAGYGMSSA-N 1 2 392.460 -1.465 20 0 GAADLO CN1CCN(c2cc(N3CCN(C(=O)C(=O)NC4CC4)CC3)nc[nH+]2)CC1=O ZINC000274785612 1073418409 /nfs/dbraw/zinc/41/84/09/1073418409.db2.gz GCSWEZFOUTXCLN-UHFFFAOYSA-N 1 2 387.444 -1.318 20 0 GAADLO CN1CCN(c2cc(N3CCN(C(=O)C(=O)NC4CC4)CC3)[nH+]cn2)CC1=O ZINC000274785612 1073418406 /nfs/dbraw/zinc/41/84/06/1073418406.db2.gz GCSWEZFOUTXCLN-UHFFFAOYSA-N 1 2 387.444 -1.318 20 0 GAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000275247596 1073449440 /nfs/dbraw/zinc/44/94/40/1073449440.db2.gz GXUUWVBIGSUGDN-JTQLQIEISA-N 1 2 388.421 -1.063 20 0 GAADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1=O ZINC000275282148 1073450120 /nfs/dbraw/zinc/45/01/20/1073450120.db2.gz KGUPYLAWDNIDHL-ZDUSSCGKSA-N 1 2 394.428 -1.125 20 0 GAADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC(=O)N(C)C ZINC000275442219 1073454278 /nfs/dbraw/zinc/45/42/78/1073454278.db2.gz KMWMTRSHTAEDPM-AWEZNQCLSA-N 1 2 376.461 -1.087 20 0 GAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC(=O)N(C)C ZINC000275442223 1073454290 /nfs/dbraw/zinc/45/42/90/1073454290.db2.gz KMWMTRSHTAEDPM-CQSZACIVSA-N 1 2 376.461 -1.087 20 0 GAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000275594774 1073461340 /nfs/dbraw/zinc/46/13/40/1073461340.db2.gz GXUUWVBIGSUGDN-SNVBAGLBSA-N 1 2 388.421 -1.063 20 0 GAADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1=O ZINC000275627454 1073463957 /nfs/dbraw/zinc/46/39/57/1073463957.db2.gz KGUPYLAWDNIDHL-CYBMUJFWSA-N 1 2 394.428 -1.125 20 0 GAADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2)CC1 ZINC000275774559 1073522395 /nfs/dbraw/zinc/52/23/95/1073522395.db2.gz INIQVWRLKFRROA-UHFFFAOYSA-N 1 2 391.472 -1.013 20 0 GAADLO CNS(=O)(=O)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000275890927 1073534819 /nfs/dbraw/zinc/53/48/19/1073534819.db2.gz CECYAJDXAJJRPX-UHFFFAOYSA-N 1 2 382.450 -1.256 20 0 GAADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000275915439 1073536393 /nfs/dbraw/zinc/53/63/93/1073536393.db2.gz LLQWALJYWQGETB-AWEZNQCLSA-N 1 2 382.380 -1.020 20 0 GAADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000275915442 1073536359 /nfs/dbraw/zinc/53/63/59/1073536359.db2.gz LLQWALJYWQGETB-CQSZACIVSA-N 1 2 382.380 -1.020 20 0 GAADLO COCCOCCOCC[N@@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000276312672 1073559345 /nfs/dbraw/zinc/55/93/45/1073559345.db2.gz XMEHMCSLHWHQEI-GFCCVEGCSA-N 1 2 386.449 -1.151 20 0 GAADLO COCCOCCOCC[N@H+](C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000276312672 1073559340 /nfs/dbraw/zinc/55/93/40/1073559340.db2.gz XMEHMCSLHWHQEI-GFCCVEGCSA-N 1 2 386.449 -1.151 20 0 GAADLO COCCOCCOCC[N@@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000276312675 1073559287 /nfs/dbraw/zinc/55/92/87/1073559287.db2.gz XMEHMCSLHWHQEI-LBPRGKRZSA-N 1 2 386.449 -1.151 20 0 GAADLO COCCOCCOCC[N@H+](C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000276312675 1073559281 /nfs/dbraw/zinc/55/92/81/1073559281.db2.gz XMEHMCSLHWHQEI-LBPRGKRZSA-N 1 2 386.449 -1.151 20 0 GAADLO COc1cncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000276580520 1073568831 /nfs/dbraw/zinc/56/88/31/1073568831.db2.gz NBSMAZYDNUOZMP-UHFFFAOYSA-N 1 2 384.462 -1.265 20 0 GAADLO Cc1ccn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)c1 ZINC000277787412 1073600921 /nfs/dbraw/zinc/60/09/21/1073600921.db2.gz FQEXFJJPWJJTKI-UHFFFAOYSA-N 1 2 397.501 -1.207 20 0 GAADLO Cn1c2ncn(CCC(=O)NCC3([NH+]4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000278049067 1073610580 /nfs/dbraw/zinc/61/05/80/1073610580.db2.gz VPCUQJKHNOHWFZ-UHFFFAOYSA-N 1 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O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000278959754 1073943888 /nfs/dbraw/zinc/94/38/88/1073943888.db2.gz ZLYMYXVUCLDQQF-HOTGVXAUSA-N 1 2 399.469 -1.639 20 0 GAADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000278959760 1073943730 /nfs/dbraw/zinc/94/37/30/1073943730.db2.gz ZLYMYXVUCLDQQF-HZPDHXFCSA-N 1 2 399.469 -1.639 20 0 GAADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000278959766 1073944008 /nfs/dbraw/zinc/94/40/08/1073944008.db2.gz ZLYMYXVUCLDQQF-IYBDPMFKSA-N 1 2 399.469 -1.639 20 0 GAADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000278959766 1073944001 /nfs/dbraw/zinc/94/40/01/1073944001.db2.gz ZLYMYXVUCLDQQF-IYBDPMFKSA-N 1 2 399.469 -1.639 20 0 GAADLO O=C(CN1CCOCC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000279256990 1073948084 /nfs/dbraw/zinc/94/80/84/1073948084.db2.gz IVRTUQKJMQYWKL-UHFFFAOYSA-N 1 2 390.444 -1.179 20 0 GAADLO O=C(CN1CCOCC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000279256990 1073948078 /nfs/dbraw/zinc/94/80/78/1073948078.db2.gz IVRTUQKJMQYWKL-UHFFFAOYSA-N 1 2 390.444 -1.179 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000279272051 1073948028 /nfs/dbraw/zinc/94/80/28/1073948028.db2.gz JMKFQNUYRJSHEM-GFCCVEGCSA-N 1 2 378.433 -1.387 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000279272056 1073948127 /nfs/dbraw/zinc/94/81/27/1073948127.db2.gz JMKFQNUYRJSHEM-LBPRGKRZSA-N 1 2 378.433 -1.387 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000279296883 1073948057 /nfs/dbraw/zinc/94/80/57/1073948057.db2.gz MANQJDPWDNZQCK-GFCCVEGCSA-N 1 2 378.433 -1.387 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000279296886 1073948236 /nfs/dbraw/zinc/94/82/36/1073948236.db2.gz MANQJDPWDNZQCK-LBPRGKRZSA-N 1 2 378.433 -1.387 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000279308805 1073949458 /nfs/dbraw/zinc/94/94/58/1073949458.db2.gz NDXGLFDGLSYKHK-LLVKDONJSA-N 1 2 387.462 -1.429 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000279308810 1073949250 /nfs/dbraw/zinc/94/92/50/1073949250.db2.gz NDXGLFDGLSYKHK-NSHDSACASA-N 1 2 387.462 -1.429 20 0 GAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000280041024 530097295 /nfs/dbraw/zinc/09/72/95/530097295.db2.gz MEVFUEIOXOLIQR-UHFFFAOYSA-N 1 2 390.487 -1.026 20 0 GAADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(=O)[nH]c1=O ZINC000281266131 1074223265 /nfs/dbraw/zinc/22/32/65/1074223265.db2.gz HTMHHJQQVUCDJT-ZJUUUORDSA-N 1 2 381.389 -1.210 20 0 GAADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(=O)[nH]c1=O ZINC000281266131 1074223259 /nfs/dbraw/zinc/22/32/59/1074223259.db2.gz HTMHHJQQVUCDJT-ZJUUUORDSA-N 1 2 381.389 -1.210 20 0 GAADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000281591038 1074227193 /nfs/dbraw/zinc/22/71/93/1074227193.db2.gz NRHMXFOZSWGPCK-AWEZNQCLSA-N 1 2 396.469 -1.003 20 0 GAADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000281591039 1074227244 /nfs/dbraw/zinc/22/72/44/1074227244.db2.gz NRHMXFOZSWGPCK-CQSZACIVSA-N 1 2 396.469 -1.003 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC(=O)N1C ZINC000282123661 1074634446 /nfs/dbraw/zinc/63/44/46/1074634446.db2.gz GUMSUZZFPXYFQU-CYBMUJFWSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC(=O)N1C ZINC000282123662 1074634460 /nfs/dbraw/zinc/63/44/60/1074634460.db2.gz GUMSUZZFPXYFQU-ZDUSSCGKSA-N 1 2 378.433 -1.157 20 0 GAADLO CNS(=O)(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000283014926 1075521544 /nfs/dbraw/zinc/52/15/44/1075521544.db2.gz WWICQJFENHBOOZ-UHFFFAOYSA-N 1 2 382.490 -1.188 20 0 GAADLO O=C(NCCCn1cc[nH+]c1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000283075668 530097886 /nfs/dbraw/zinc/09/78/86/530097886.db2.gz CAGVAPNVGSJBRA-UHFFFAOYSA-N 1 2 389.503 -1.116 20 0 GAADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000283109229 1075557762 /nfs/dbraw/zinc/55/77/62/1075557762.db2.gz BEQAKXMVHPPZGD-UHFFFAOYSA-N 1 2 392.460 -1.608 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)[C@H](C)C1 ZINC000283257810 1075558621 /nfs/dbraw/zinc/55/86/21/1075558621.db2.gz BXJZQIZHANSTTD-GFCCVEGCSA-N 1 2 378.433 -1.064 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)[C@H](C)C1 ZINC000283257810 1075558617 /nfs/dbraw/zinc/55/86/17/1075558617.db2.gz BXJZQIZHANSTTD-GFCCVEGCSA-N 1 2 378.433 -1.064 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)[C@@H](C)C1 ZINC000283257813 1075558456 /nfs/dbraw/zinc/55/84/56/1075558456.db2.gz BXJZQIZHANSTTD-LBPRGKRZSA-N 1 2 378.433 -1.064 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nnc3n2CCC3)[C@@H](C)C1 ZINC000283257813 1075558450 /nfs/dbraw/zinc/55/84/50/1075558450.db2.gz BXJZQIZHANSTTD-LBPRGKRZSA-N 1 2 378.433 -1.064 20 0 GAADLO O=C(CN1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1)N1CCOCC1 ZINC000283283146 1075558583 /nfs/dbraw/zinc/55/85/83/1075558583.db2.gz OEWASNTUYASBOJ-UHFFFAOYSA-N 1 2 392.460 -1.608 20 0 GAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000283298388 1075558608 /nfs/dbraw/zinc/55/86/08/1075558608.db2.gz PGAIRJIQEFRAFJ-UHFFFAOYSA-N 1 2 376.417 -1.661 20 0 GAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000283607773 1075559395 /nfs/dbraw/zinc/55/93/95/1075559395.db2.gz VGOHBGIWTGGHDL-INIZCTEOSA-N 1 2 390.440 -1.152 20 0 GAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000283607776 1075559702 /nfs/dbraw/zinc/55/97/02/1075559702.db2.gz VGOHBGIWTGGHDL-MRXNPFEDSA-N 1 2 390.440 -1.152 20 0 GAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000283795544 1075559905 /nfs/dbraw/zinc/55/99/05/1075559905.db2.gz HDVAKJQIARBBSD-HNNXBMFYSA-N 1 2 392.460 -1.609 20 0 GAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000283795545 1075560008 /nfs/dbraw/zinc/56/00/08/1075560008.db2.gz HDVAKJQIARBBSD-OAHLLOKOSA-N 1 2 392.460 -1.609 20 0 GAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000283812329 1075560035 /nfs/dbraw/zinc/56/00/35/1075560035.db2.gz JBSFXXAYLLFWLC-HNNXBMFYSA-N 1 2 392.460 -1.609 20 0 GAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000283812330 1075559997 /nfs/dbraw/zinc/55/99/97/1075559997.db2.gz JBSFXXAYLLFWLC-OAHLLOKOSA-N 1 2 392.460 -1.609 20 0 GAADLO CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000283882542 1075560776 /nfs/dbraw/zinc/56/07/76/1075560776.db2.gz CGTSTEAMVWAWMO-HNNXBMFYSA-N 1 2 379.461 -1.085 20 0 GAADLO CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000283882547 1075560674 /nfs/dbraw/zinc/56/06/74/1075560674.db2.gz CGTSTEAMVWAWMO-OAHLLOKOSA-N 1 2 379.461 -1.085 20 0 GAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000283921355 1075560707 /nfs/dbraw/zinc/56/07/07/1075560707.db2.gz MVBFEYQFLHECJO-GFCCVEGCSA-N 1 2 376.417 -1.663 20 0 GAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000283921361 1075560633 /nfs/dbraw/zinc/56/06/33/1075560633.db2.gz MVBFEYQFLHECJO-LBPRGKRZSA-N 1 2 376.417 -1.663 20 0 GAADLO O=C(CN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1)N1CCOCC1 ZINC000283983809 1075561108 /nfs/dbraw/zinc/56/11/08/1075561108.db2.gz OGZRUKSMPIECSN-UHFFFAOYSA-N 1 2 378.433 -1.998 20 0 GAADLO O=C(NCCn1cc[nH+]c1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000284009266 530097962 /nfs/dbraw/zinc/09/79/62/530097962.db2.gz PMFXKWICRAFAKH-UHFFFAOYSA-N 1 2 375.476 -1.506 20 0 GAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000284085593 1075561424 /nfs/dbraw/zinc/56/14/24/1075561424.db2.gz VLHIWWSTQKOFAS-GFCCVEGCSA-N 1 2 375.393 -2.255 20 0 GAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000284085598 1075561542 /nfs/dbraw/zinc/56/15/42/1075561542.db2.gz VLHIWWSTQKOFAS-LBPRGKRZSA-N 1 2 375.393 -2.255 20 0 GAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000284104333 1075561651 /nfs/dbraw/zinc/56/16/51/1075561651.db2.gz VITGZVPNRLZUEX-UHFFFAOYSA-N 1 2 392.416 -2.471 20 0 GAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000284158923 530097678 /nfs/dbraw/zinc/09/76/78/530097678.db2.gz ZKBMJMXYQZNPSA-GFCCVEGCSA-N 1 2 389.503 -1.117 20 0 GAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000284158928 530097715 /nfs/dbraw/zinc/09/77/15/530097715.db2.gz ZKBMJMXYQZNPSA-LBPRGKRZSA-N 1 2 389.503 -1.117 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)c(=O)n2C ZINC000284228629 1075562151 /nfs/dbraw/zinc/56/21/51/1075562151.db2.gz VQLWQGZDNGHTMK-NEPJUHHUSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)c(=O)n2C ZINC000284228629 1075562147 /nfs/dbraw/zinc/56/21/47/1075562147.db2.gz VQLWQGZDNGHTMK-NEPJUHHUSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3OCC[N@@H+](C)[C@H]3C1)c(=O)n2C ZINC000284228637 1075562487 /nfs/dbraw/zinc/56/24/87/1075562487.db2.gz VQLWQGZDNGHTMK-NWDGAFQWSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3OCC[N@H+](C)[C@H]3C1)c(=O)n2C ZINC000284228637 1075562484 /nfs/dbraw/zinc/56/24/84/1075562484.db2.gz VQLWQGZDNGHTMK-NWDGAFQWSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)c(=O)n2C ZINC000284228643 1075562568 /nfs/dbraw/zinc/56/25/68/1075562568.db2.gz VQLWQGZDNGHTMK-RYUDHWBXSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)c(=O)n2C ZINC000284228643 1075562561 /nfs/dbraw/zinc/56/25/61/1075562561.db2.gz VQLWQGZDNGHTMK-RYUDHWBXSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3OCC[N@@H+](C)[C@@H]3C1)c(=O)n2C ZINC000284228650 1075562408 /nfs/dbraw/zinc/56/24/08/1075562408.db2.gz VQLWQGZDNGHTMK-VXGBXAGGSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3OCC[N@H+](C)[C@@H]3C1)c(=O)n2C ZINC000284228650 1075562405 /nfs/dbraw/zinc/56/24/05/1075562405.db2.gz VQLWQGZDNGHTMK-VXGBXAGGSA-N 1 2 376.417 -1.635 20 0 GAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365434 1075563208 /nfs/dbraw/zinc/56/32/08/1075563208.db2.gz LKTSNWBULDBSMN-CVEARBPZSA-N 1 2 390.440 -1.284 20 0 GAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365434 1075563205 /nfs/dbraw/zinc/56/32/05/1075563205.db2.gz LKTSNWBULDBSMN-CVEARBPZSA-N 1 2 390.440 -1.284 20 0 GAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365437 1075563236 /nfs/dbraw/zinc/56/32/36/1075563236.db2.gz LKTSNWBULDBSMN-HOTGVXAUSA-N 1 2 390.440 -1.284 20 0 GAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365437 1075563232 /nfs/dbraw/zinc/56/32/32/1075563232.db2.gz LKTSNWBULDBSMN-HOTGVXAUSA-N 1 2 390.440 -1.284 20 0 GAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365440 1075563142 /nfs/dbraw/zinc/56/31/42/1075563142.db2.gz LKTSNWBULDBSMN-HZPDHXFCSA-N 1 2 390.440 -1.284 20 0 GAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365440 1075563140 /nfs/dbraw/zinc/56/31/40/1075563140.db2.gz LKTSNWBULDBSMN-HZPDHXFCSA-N 1 2 390.440 -1.284 20 0 GAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365443 1075563180 /nfs/dbraw/zinc/56/31/80/1075563180.db2.gz LKTSNWBULDBSMN-JKSUJKDBSA-N 1 2 390.440 -1.284 20 0 GAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000284365443 1075563178 /nfs/dbraw/zinc/56/31/78/1075563178.db2.gz LKTSNWBULDBSMN-JKSUJKDBSA-N 1 2 390.440 -1.284 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000284988409 1075567436 /nfs/dbraw/zinc/56/74/36/1075567436.db2.gz LLHLMPUPNMYUBW-UHFFFAOYSA-N 1 2 378.429 -1.043 20 0 GAADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000285489463 1074089539 /nfs/dbraw/zinc/08/95/39/1074089539.db2.gz IORAVZORMRAMFX-ZIAGYGMSSA-N 1 2 375.433 -1.297 20 0 GAADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000285489463 1074089528 /nfs/dbraw/zinc/08/95/28/1074089528.db2.gz IORAVZORMRAMFX-ZIAGYGMSSA-N 1 2 375.433 -1.297 20 0 GAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000285716198 1075568974 /nfs/dbraw/zinc/56/89/74/1075568974.db2.gz ICSFVDRVUWBYGE-CHWSQXEVSA-N 1 2 390.444 -1.245 20 0 GAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000285716201 1075568966 /nfs/dbraw/zinc/56/89/66/1075568966.db2.gz ICSFVDRVUWBYGE-OLZOCXBDSA-N 1 2 390.444 -1.245 20 0 GAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000285716205 1075568955 /nfs/dbraw/zinc/56/89/55/1075568955.db2.gz ICSFVDRVUWBYGE-QWHCGFSZSA-N 1 2 390.444 -1.245 20 0 GAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000285716208 1075568881 /nfs/dbraw/zinc/56/88/81/1075568881.db2.gz ICSFVDRVUWBYGE-STQMWFEESA-N 1 2 390.444 -1.245 20 0 GAADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000285777223 1075569353 /nfs/dbraw/zinc/56/93/53/1075569353.db2.gz CMDKZULURAKHQN-KBPBESRZSA-N 1 2 392.460 -1.039 20 0 GAADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1=O ZINC000285777223 1075569349 /nfs/dbraw/zinc/56/93/49/1075569349.db2.gz CMDKZULURAKHQN-KBPBESRZSA-N 1 2 392.460 -1.039 20 0 GAADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000285777227 1075569438 /nfs/dbraw/zinc/56/94/38/1075569438.db2.gz CMDKZULURAKHQN-KGLIPLIRSA-N 1 2 392.460 -1.039 20 0 GAADLO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000285777227 1075569433 /nfs/dbraw/zinc/56/94/33/1075569433.db2.gz CMDKZULURAKHQN-KGLIPLIRSA-N 1 2 392.460 -1.039 20 0 GAADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000285777230 1075569370 /nfs/dbraw/zinc/56/93/70/1075569370.db2.gz CMDKZULURAKHQN-UONOGXRCSA-N 1 2 392.460 -1.039 20 0 GAADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1=O ZINC000285777230 1075569363 /nfs/dbraw/zinc/56/93/63/1075569363.db2.gz CMDKZULURAKHQN-UONOGXRCSA-N 1 2 392.460 -1.039 20 0 GAADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000285777233 1075569330 /nfs/dbraw/zinc/56/93/30/1075569330.db2.gz CMDKZULURAKHQN-ZIAGYGMSSA-N 1 2 392.460 -1.039 20 0 GAADLO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000285777233 1075569328 /nfs/dbraw/zinc/56/93/28/1075569328.db2.gz CMDKZULURAKHQN-ZIAGYGMSSA-N 1 2 392.460 -1.039 20 0 GAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285815841 1075569740 /nfs/dbraw/zinc/56/97/40/1075569740.db2.gz NLXSWTILQOTDLH-CHWSQXEVSA-N 1 2 390.444 -1.245 20 0 GAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285815849 1075569798 /nfs/dbraw/zinc/56/97/98/1075569798.db2.gz NLXSWTILQOTDLH-OLZOCXBDSA-N 1 2 390.444 -1.245 20 0 GAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285815854 1075569725 /nfs/dbraw/zinc/56/97/25/1075569725.db2.gz NLXSWTILQOTDLH-QWHCGFSZSA-N 1 2 390.444 -1.245 20 0 GAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285815860 1075569704 /nfs/dbraw/zinc/56/97/04/1075569704.db2.gz NLXSWTILQOTDLH-STQMWFEESA-N 1 2 390.444 -1.245 20 0 GAADLO COC(=O)c1cn(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000285882410 1075569759 /nfs/dbraw/zinc/56/97/59/1075569759.db2.gz RKDMOTKTIHCHKS-CYBMUJFWSA-N 1 2 394.432 -1.638 20 0 GAADLO COC(=O)c1cn(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000285882413 1075569697 /nfs/dbraw/zinc/56/96/97/1075569697.db2.gz RKDMOTKTIHCHKS-ZDUSSCGKSA-N 1 2 394.432 -1.638 20 0 GAADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)N1CCNC(=O)C1 ZINC000286954999 1075573833 /nfs/dbraw/zinc/57/38/33/1075573833.db2.gz FWVUWQZWIONAKD-UHFFFAOYSA-N 1 2 390.440 -1.028 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)[C@@H](C)C1 ZINC000286982770 1075574228 /nfs/dbraw/zinc/57/42/28/1075574228.db2.gz BDPYWRROFGGIKO-JTQLQIEISA-N 1 2 381.389 -1.515 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)[C@@H](C)C1 ZINC000286982770 1075574224 /nfs/dbraw/zinc/57/42/24/1075574224.db2.gz BDPYWRROFGGIKO-JTQLQIEISA-N 1 2 381.389 -1.515 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)[C@H](C)C1 ZINC000286982773 1075574199 /nfs/dbraw/zinc/57/41/99/1075574199.db2.gz BDPYWRROFGGIKO-SNVBAGLBSA-N 1 2 381.389 -1.515 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)[C@H](C)C1 ZINC000286982773 1075574195 /nfs/dbraw/zinc/57/41/95/1075574195.db2.gz BDPYWRROFGGIKO-SNVBAGLBSA-N 1 2 381.389 -1.515 20 0 GAADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)N1CCNC(=O)C1 ZINC000287286034 1075575378 /nfs/dbraw/zinc/57/53/78/1075575378.db2.gz ZEEUWCOULJDLQM-UHFFFAOYSA-N 1 2 390.440 -1.028 20 0 GAADLO CN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000287379809 1075575354 /nfs/dbraw/zinc/57/53/54/1075575354.db2.gz UJYNTZQUUKVSIN-AWEZNQCLSA-N 1 2 392.460 -1.151 20 0 GAADLO CN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000287379809 1075575351 /nfs/dbraw/zinc/57/53/51/1075575351.db2.gz UJYNTZQUUKVSIN-AWEZNQCLSA-N 1 2 392.460 -1.151 20 0 GAADLO CN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000287379820 1075575275 /nfs/dbraw/zinc/57/52/75/1075575275.db2.gz UJYNTZQUUKVSIN-CQSZACIVSA-N 1 2 392.460 -1.151 20 0 GAADLO CN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000287379820 1075575270 /nfs/dbraw/zinc/57/52/70/1075575270.db2.gz UJYNTZQUUKVSIN-CQSZACIVSA-N 1 2 392.460 -1.151 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000288255146 1075578978 /nfs/dbraw/zinc/57/89/78/1075578978.db2.gz CFECSXAMYBRXKX-HNNXBMFYSA-N 1 2 392.460 -1.178 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000288255153 1075579018 /nfs/dbraw/zinc/57/90/18/1075579018.db2.gz CFECSXAMYBRXKX-OAHLLOKOSA-N 1 2 392.460 -1.178 20 0 GAADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1F ZINC000288283995 1075579032 /nfs/dbraw/zinc/57/90/32/1075579032.db2.gz XRWIUMCLLHXDMG-UHFFFAOYSA-N 1 2 388.421 -1.191 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000288316543 1075579259 /nfs/dbraw/zinc/57/92/59/1075579259.db2.gz MFODELFIHRWOLM-UHFFFAOYSA-N 1 2 391.472 -1.011 20 0 GAADLO CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000288700179 1075581016 /nfs/dbraw/zinc/58/10/16/1075581016.db2.gz DGQUKGLCLYVRPK-UHFFFAOYSA-N 1 2 388.432 -1.394 20 0 GAADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)CC1 ZINC000288758436 1075581317 /nfs/dbraw/zinc/58/13/17/1075581317.db2.gz KUDHAYWZUOFLMH-STZFKDTASA-N 1 2 387.444 -1.097 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000288795585 1075581398 /nfs/dbraw/zinc/58/13/98/1075581398.db2.gz YVSUHKHORFLVDB-AWEZNQCLSA-N 1 2 378.433 -1.568 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000288795587 1075581442 /nfs/dbraw/zinc/58/14/42/1075581442.db2.gz YVSUHKHORFLVDB-CQSZACIVSA-N 1 2 378.433 -1.568 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000289220197 1075582397 /nfs/dbraw/zinc/58/23/97/1075582397.db2.gz NNFQYNJMCMPVHL-UHFFFAOYSA-N 1 2 397.399 -1.692 20 0 GAADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000289342672 1074104674 /nfs/dbraw/zinc/10/46/74/1074104674.db2.gz ZPMKMCNXMVPQQM-UHFFFAOYSA-N 1 2 398.423 -1.100 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000289363799 1075583063 /nfs/dbraw/zinc/58/30/63/1075583063.db2.gz MYYKSAGAQBGUMM-AWEZNQCLSA-N 1 2 392.460 -1.178 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000289363803 1075583041 /nfs/dbraw/zinc/58/30/41/1075583041.db2.gz MYYKSAGAQBGUMM-CQSZACIVSA-N 1 2 392.460 -1.178 20 0 GAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289584042 1075583664 /nfs/dbraw/zinc/58/36/64/1075583664.db2.gz ZFWNGVVSKUFLNU-BDAKNGLRSA-N 1 2 377.405 -1.472 20 0 GAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289584042 1075583657 /nfs/dbraw/zinc/58/36/57/1075583657.db2.gz ZFWNGVVSKUFLNU-BDAKNGLRSA-N 1 2 377.405 -1.472 20 0 GAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585822 1075583721 /nfs/dbraw/zinc/58/37/21/1075583721.db2.gz ZFWNGVVSKUFLNU-DTWKUNHWSA-N 1 2 377.405 -1.472 20 0 GAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585822 1075583712 /nfs/dbraw/zinc/58/37/12/1075583712.db2.gz ZFWNGVVSKUFLNU-DTWKUNHWSA-N 1 2 377.405 -1.472 20 0 GAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585826 1075583605 /nfs/dbraw/zinc/58/36/05/1075583605.db2.gz ZFWNGVVSKUFLNU-IUCAKERBSA-N 1 2 377.405 -1.472 20 0 GAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585826 1075583600 /nfs/dbraw/zinc/58/36/00/1075583600.db2.gz ZFWNGVVSKUFLNU-IUCAKERBSA-N 1 2 377.405 -1.472 20 0 GAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585829 1075584191 /nfs/dbraw/zinc/58/41/91/1075584191.db2.gz ZFWNGVVSKUFLNU-RKDXNWHRSA-N 1 2 377.405 -1.472 20 0 GAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585829 1075584187 /nfs/dbraw/zinc/58/41/87/1075584187.db2.gz ZFWNGVVSKUFLNU-RKDXNWHRSA-N 1 2 377.405 -1.472 20 0 GAADLO COc1c[nH+]c(NC[C@H]2CC(C(N)=O)=NO2)nc1NC[C@H]1CC(C(N)=O)=NO1 ZINC000289590632 1075584169 /nfs/dbraw/zinc/58/41/69/1075584169.db2.gz JMAZQNYWCRXEEP-HTQZYQBOSA-N 1 2 392.376 -1.431 20 0 GAADLO COc1c[nH+]c(NC[C@H]2CC(C(N)=O)=NO2)nc1NC[C@@H]1CC(C(N)=O)=NO1 ZINC000289590633 1075584144 /nfs/dbraw/zinc/58/41/44/1075584144.db2.gz JMAZQNYWCRXEEP-JGVFFNPUSA-N 1 2 392.376 -1.431 20 0 GAADLO COc1c[nH+]c(NC[C@@H]2CC(C(N)=O)=NO2)nc1NC[C@H]1CC(C(N)=O)=NO1 ZINC000289590634 1075584060 /nfs/dbraw/zinc/58/40/60/1075584060.db2.gz JMAZQNYWCRXEEP-SFYZADRCSA-N 1 2 392.376 -1.431 20 0 GAADLO COc1c[nH+]c(NC[C@@H]2CC(C(N)=O)=NO2)nc1NC[C@@H]1CC(C(N)=O)=NO1 ZINC000289592432 1075584117 /nfs/dbraw/zinc/58/41/17/1075584117.db2.gz JMAZQNYWCRXEEP-YUMQZZPRSA-N 1 2 392.376 -1.431 20 0 GAADLO CN(C)c1cccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000289959148 1075584834 /nfs/dbraw/zinc/58/48/34/1075584834.db2.gz CGOUPZQUIYMAEV-HNNXBMFYSA-N 1 2 379.461 -1.085 20 0 GAADLO CN(C)c1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000289959151 1075584811 /nfs/dbraw/zinc/58/48/11/1075584811.db2.gz CGOUPZQUIYMAEV-OAHLLOKOSA-N 1 2 379.461 -1.085 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000290272879 1075585426 /nfs/dbraw/zinc/58/54/26/1075585426.db2.gz AIRNADCNFWSEAI-CVEARBPZSA-N 1 2 391.472 -1.072 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000290272882 1075585486 /nfs/dbraw/zinc/58/54/86/1075585486.db2.gz AIRNADCNFWSEAI-HOTGVXAUSA-N 1 2 391.472 -1.072 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000290272884 1075585399 /nfs/dbraw/zinc/58/53/99/1075585399.db2.gz AIRNADCNFWSEAI-HZPDHXFCSA-N 1 2 391.472 -1.072 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000290272887 1075585493 /nfs/dbraw/zinc/58/54/93/1075585493.db2.gz AIRNADCNFWSEAI-JKSUJKDBSA-N 1 2 391.472 -1.072 20 0 GAADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000291530869 1075586437 /nfs/dbraw/zinc/58/64/37/1075586437.db2.gz WDTWDLHDWNVADZ-CYBMUJFWSA-N 1 2 390.462 -1.279 20 0 GAADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000291530870 1075586401 /nfs/dbraw/zinc/58/64/01/1075586401.db2.gz WDTWDLHDWNVADZ-ZDUSSCGKSA-N 1 2 390.462 -1.279 20 0 GAADLO CON(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000291706542 1075586460 /nfs/dbraw/zinc/58/64/60/1075586460.db2.gz IHMFJZRIQATKIB-JTQLQIEISA-N 1 2 381.433 -1.031 20 0 GAADLO CON(C)C(=O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000291706545 1075586588 /nfs/dbraw/zinc/58/65/88/1075586588.db2.gz IHMFJZRIQATKIB-SNVBAGLBSA-N 1 2 381.433 -1.031 20 0 GAADLO Cc1c(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000292223504 1075587213 /nfs/dbraw/zinc/58/72/13/1075587213.db2.gz KDNULGFNBXKYHT-UHFFFAOYSA-N 1 2 384.506 -1.093 20 0 GAADLO C[C@@H](O)CNc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[nH+]cn1 ZINC000294515071 1075591627 /nfs/dbraw/zinc/59/16/27/1075591627.db2.gz UHZZCIKIHVSPES-CYBMUJFWSA-N 1 2 378.433 -1.223 20 0 GAADLO C[C@@H](O)CNc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc[nH+]1 ZINC000294515071 1075591626 /nfs/dbraw/zinc/59/16/26/1075591626.db2.gz UHZZCIKIHVSPES-CYBMUJFWSA-N 1 2 378.433 -1.223 20 0 GAADLO C[C@H](O)CNc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[nH+]cn1 ZINC000294515080 1075591617 /nfs/dbraw/zinc/59/16/17/1075591617.db2.gz UHZZCIKIHVSPES-ZDUSSCGKSA-N 1 2 378.433 -1.223 20 0 GAADLO C[C@H](O)CNc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc[nH+]1 ZINC000294515080 1075591615 /nfs/dbraw/zinc/59/16/15/1075591615.db2.gz UHZZCIKIHVSPES-ZDUSSCGKSA-N 1 2 378.433 -1.223 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)NC[C@H]3C[NH+]4CCN3CC4)CC2=O)cn1 ZINC000295447491 1075593121 /nfs/dbraw/zinc/59/31/21/1075593121.db2.gz NLEOTGCSLYRUOG-CABCVRRESA-N 1 2 376.461 -1.002 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@H]3C[NH+]4CCN3CC4)CC2=O)cn1 ZINC000295447507 1075593020 /nfs/dbraw/zinc/59/30/20/1075593020.db2.gz NLEOTGCSLYRUOG-GJZGRUSLSA-N 1 2 376.461 -1.002 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)NC[C@@H]3C[NH+]4CCN3CC4)CC2=O)cn1 ZINC000295447518 1075593102 /nfs/dbraw/zinc/59/31/02/1075593102.db2.gz NLEOTGCSLYRUOG-HUUCEWRRSA-N 1 2 376.461 -1.002 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)NC[C@@H]3C[NH+]4CCN3CC4)CC2=O)cn1 ZINC000295447528 1075593013 /nfs/dbraw/zinc/59/30/13/1075593013.db2.gz NLEOTGCSLYRUOG-LSDHHAIUSA-N 1 2 376.461 -1.002 20 0 GAADLO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000296670901 1075598139 /nfs/dbraw/zinc/59/81/39/1075598139.db2.gz KSLUUQKNTNDYOE-JTQLQIEISA-N 1 2 399.448 -1.334 20 0 GAADLO Cn1c(N)c(C(=O)C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000296670901 1075598135 /nfs/dbraw/zinc/59/81/35/1075598135.db2.gz KSLUUQKNTNDYOE-JTQLQIEISA-N 1 2 399.448 -1.334 20 0 GAADLO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000296670905 1075598057 /nfs/dbraw/zinc/59/80/57/1075598057.db2.gz KSLUUQKNTNDYOE-SNVBAGLBSA-N 1 2 399.448 -1.334 20 0 GAADLO Cn1c(N)c(C(=O)C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000296670905 1075598051 /nfs/dbraw/zinc/59/80/51/1075598051.db2.gz KSLUUQKNTNDYOE-SNVBAGLBSA-N 1 2 399.448 -1.334 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC(=O)N1 ZINC000297415842 1075599031 /nfs/dbraw/zinc/59/90/31/1075599031.db2.gz AYMPSRYSQABEBO-LLVKDONJSA-N 1 2 386.416 -1.641 20 0 GAADLO C[C@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC(=O)N1 ZINC000297415848 1075599145 /nfs/dbraw/zinc/59/91/45/1075599145.db2.gz AYMPSRYSQABEBO-NSHDSACASA-N 1 2 386.416 -1.641 20 0 GAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000297594029 1075599533 /nfs/dbraw/zinc/59/95/33/1075599533.db2.gz CLTXVXIFYMKAEK-CYBMUJFWSA-N 1 2 380.424 -1.211 20 0 GAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000297594038 1074139256 /nfs/dbraw/zinc/13/92/56/1074139256.db2.gz CLTXVXIFYMKAEK-ZDUSSCGKSA-N 1 2 380.424 -1.211 20 0 GAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000297622613 1075599899 /nfs/dbraw/zinc/59/98/99/1075599899.db2.gz WANIPUAGWHUOJV-UHFFFAOYSA-N 1 2 399.473 -1.187 20 0 GAADLO Cc1cnn(C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CCO2)c1 ZINC000297645074 1075599865 /nfs/dbraw/zinc/59/98/65/1075599865.db2.gz IUCQBXGQVRZCKF-CVEARBPZSA-N 1 2 379.461 -1.056 20 0 GAADLO Cc1cnn(C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CCO2)c1 ZINC000297645082 1075599882 /nfs/dbraw/zinc/59/98/82/1075599882.db2.gz IUCQBXGQVRZCKF-HZPDHXFCSA-N 1 2 379.461 -1.056 20 0 GAADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)cn1C ZINC000297739738 1075601185 /nfs/dbraw/zinc/60/11/85/1075601185.db2.gz KWWJYNPTKKIYOQ-UHFFFAOYSA-N 1 2 398.489 -1.665 20 0 GAADLO CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000297763559 1075601590 /nfs/dbraw/zinc/60/15/90/1075601590.db2.gz GTXHXNIDGKZTFW-UHFFFAOYSA-N 1 2 381.458 -1.166 20 0 GAADLO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)CC2)n1 ZINC000297765284 1075601527 /nfs/dbraw/zinc/60/15/27/1075601527.db2.gz IGBPEGGVXSAYEJ-AWEZNQCLSA-N 1 2 392.460 -1.341 20 0 GAADLO COc1ccnc(N2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CC2)n1 ZINC000297765287 1075601612 /nfs/dbraw/zinc/60/16/12/1075601612.db2.gz IGBPEGGVXSAYEJ-CQSZACIVSA-N 1 2 392.460 -1.341 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000297771143 1075601512 /nfs/dbraw/zinc/60/15/12/1075601512.db2.gz JKHIQQXCDPNPKH-UHFFFAOYSA-N 1 2 392.460 -1.076 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000297801775 1075601972 /nfs/dbraw/zinc/60/19/72/1075601972.db2.gz JAEFIKLWOBFRNW-INIZCTEOSA-N 1 2 391.472 -1.118 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000297801781 1075602035 /nfs/dbraw/zinc/60/20/35/1075602035.db2.gz JAEFIKLWOBFRNW-MRXNPFEDSA-N 1 2 391.472 -1.118 20 0 GAADLO Cc1nc(N2CCN(C(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)CC2)cc[nH+]1 ZINC000297848580 1075602280 /nfs/dbraw/zinc/60/22/80/1075602280.db2.gz OHQYVXASWRJMKK-UHFFFAOYSA-N 1 2 396.473 -1.463 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000297868543 1075602317 /nfs/dbraw/zinc/60/23/17/1075602317.db2.gz PRCZPGLQZXIGPT-UHFFFAOYSA-N 1 2 394.436 -2.866 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000297900016 1075603114 /nfs/dbraw/zinc/60/31/14/1075603114.db2.gz RXURTDGGLWTDJW-UHFFFAOYSA-N 1 2 378.433 -1.614 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000297920849 1075603120 /nfs/dbraw/zinc/60/31/20/1075603120.db2.gz UCWMSHWZOCEXEF-UHFFFAOYSA-N 1 2 383.478 -1.441 20 0 GAADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000297974144 1075604269 /nfs/dbraw/zinc/60/42/69/1075604269.db2.gz XXWUTASCDYVNBI-UHFFFAOYSA-N 1 2 378.433 -1.160 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000297980414 1075604186 /nfs/dbraw/zinc/60/41/86/1075604186.db2.gz HEUJFIMMNBZYLO-UHFFFAOYSA-N 1 2 392.460 -1.224 20 0 GAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000298040699 1075604672 /nfs/dbraw/zinc/60/46/72/1075604672.db2.gz WALXOEBVMSVPRA-CYBMUJFWSA-N 1 2 378.433 -1.880 20 0 GAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000298040700 1075604654 /nfs/dbraw/zinc/60/46/54/1075604654.db2.gz WALXOEBVMSVPRA-ZDUSSCGKSA-N 1 2 378.433 -1.880 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000298051505 1075604687 /nfs/dbraw/zinc/60/46/87/1075604687.db2.gz JYNQSMYIBWCSGR-UHFFFAOYSA-N 1 2 376.421 -2.350 20 0 GAADLO Cn1cnc2c1c(=O)n(CC(=O)NCC(C)(C)[NH+]1CCOCC1)c(=O)n2C ZINC000298147016 1075606066 /nfs/dbraw/zinc/60/60/66/1075606066.db2.gz SVUMAQMGFOKRTI-UHFFFAOYSA-N 1 2 378.433 -1.339 20 0 GAADLO COCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000298207769 1075606730 /nfs/dbraw/zinc/60/67/30/1075606730.db2.gz YEKVBYHMPYVTGD-UHFFFAOYSA-N 1 2 390.444 -1.249 20 0 GAADLO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](CCO)CC1 ZINC000298209095 1075606852 /nfs/dbraw/zinc/60/68/52/1075606852.db2.gz KJTYMSPWXYVJGB-UHFFFAOYSA-N 1 2 396.469 -1.443 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000298209475 1075606802 /nfs/dbraw/zinc/60/68/02/1075606802.db2.gz YFZVPUXSVNOHKK-UHFFFAOYSA-N 1 2 397.505 -1.050 20 0 GAADLO CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000298283348 530099082 /nfs/dbraw/zinc/09/90/82/530099082.db2.gz OCVLLINEBYHLKJ-UHFFFAOYSA-N 1 2 390.487 -1.224 20 0 GAADLO O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CC[NH+](CCO)CC1 ZINC000298426152 1075609352 /nfs/dbraw/zinc/60/93/52/1075609352.db2.gz VNXJEULVAGJKKU-UHFFFAOYSA-N 1 2 396.469 -1.443 20 0 GAADLO Cc1nccc(N2CCN(C(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CC2)n1 ZINC000298588449 1075610370 /nfs/dbraw/zinc/61/03/70/1075610370.db2.gz IRZZMIBWXWXMLQ-CQSZACIVSA-N 1 2 376.461 -1.041 20 0 GAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000298613964 1075610742 /nfs/dbraw/zinc/61/07/42/1075610742.db2.gz IGXDQQQWONYYJJ-LLVKDONJSA-N 1 2 386.416 -1.641 20 0 GAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000298613970 1075610806 /nfs/dbraw/zinc/61/08/06/1075610806.db2.gz IGXDQQQWONYYJJ-NSHDSACASA-N 1 2 386.416 -1.641 20 0 GAADLO COCC(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000298712830 1075611548 /nfs/dbraw/zinc/61/15/48/1075611548.db2.gz AWIGSHMYJXCKFO-UHFFFAOYSA-N 1 2 378.433 -1.386 20 0 GAADLO CC(=O)N1CC[NH+](CCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000298761258 1075612122 /nfs/dbraw/zinc/61/21/22/1075612122.db2.gz KYBVGQJXHJPFSG-UHFFFAOYSA-N 1 2 381.458 -1.236 20 0 GAADLO Cn1c(=O)c2cc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cnc2n(C)c1=O ZINC000299383379 1075616719 /nfs/dbraw/zinc/61/67/19/1075616719.db2.gz YEDUVBSWMSHORQ-UHFFFAOYSA-N 1 2 386.412 -1.123 20 0 GAADLO CCN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328618364 206232805 /nfs/dbraw/zinc/23/28/05/206232805.db2.gz DRFYOKIULMDHNQ-LLVKDONJSA-N 1 2 382.446 -1.125 20 0 GAADLO CCN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000328618365 212085701 /nfs/dbraw/zinc/08/57/01/212085701.db2.gz DRFYOKIULMDHNQ-NSHDSACASA-N 1 2 382.446 -1.125 20 0 GAADLO C[C@@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[NH+]1CCN(C)CC1 ZINC000328744607 1073535273 /nfs/dbraw/zinc/53/52/73/1073535273.db2.gz OVVSTIAAXSFDBM-AWEZNQCLSA-N 1 2 379.461 -1.558 20 0 GAADLO C[C@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[NH+]1CCN(C)CC1 ZINC000328744608 1073535199 /nfs/dbraw/zinc/53/51/99/1073535199.db2.gz OVVSTIAAXSFDBM-CQSZACIVSA-N 1 2 379.461 -1.558 20 0 GAADLO CC(C)(C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[NH+]1CCOCC1 ZINC000328751895 1074176334 /nfs/dbraw/zinc/17/63/34/1074176334.db2.gz RRYGABOKADAXDM-UHFFFAOYSA-N 1 2 380.445 -1.083 20 0 GAADLO NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328894202 1074176325 /nfs/dbraw/zinc/17/63/25/1074176325.db2.gz UTYWCHKEZGLVQQ-KBPBESRZSA-N 1 2 388.490 -1.553 20 0 GAADLO NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328894203 1074176277 /nfs/dbraw/zinc/17/62/77/1074176277.db2.gz UTYWCHKEZGLVQQ-KGLIPLIRSA-N 1 2 388.490 -1.553 20 0 GAADLO NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328894204 1074176318 /nfs/dbraw/zinc/17/63/18/1074176318.db2.gz UTYWCHKEZGLVQQ-UONOGXRCSA-N 1 2 388.490 -1.553 20 0 GAADLO NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328894205 1074176303 /nfs/dbraw/zinc/17/63/03/1074176303.db2.gz UTYWCHKEZGLVQQ-ZIAGYGMSSA-N 1 2 388.490 -1.553 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328922589 1074176743 /nfs/dbraw/zinc/17/67/43/1074176743.db2.gz ULWFRQAHWKBBIN-NEPJUHHUSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328922589 1074176739 /nfs/dbraw/zinc/17/67/39/1074176739.db2.gz ULWFRQAHWKBBIN-NEPJUHHUSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328922590 1074176677 /nfs/dbraw/zinc/17/66/77/1074176677.db2.gz ULWFRQAHWKBBIN-NWDGAFQWSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328922590 1074176668 /nfs/dbraw/zinc/17/66/68/1074176668.db2.gz ULWFRQAHWKBBIN-NWDGAFQWSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328922591 1074176911 /nfs/dbraw/zinc/17/69/11/1074176911.db2.gz ULWFRQAHWKBBIN-RYUDHWBXSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328922591 1074176906 /nfs/dbraw/zinc/17/69/06/1074176906.db2.gz ULWFRQAHWKBBIN-RYUDHWBXSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328922592 1074176833 /nfs/dbraw/zinc/17/68/33/1074176833.db2.gz ULWFRQAHWKBBIN-VXGBXAGGSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328922592 1074176828 /nfs/dbraw/zinc/17/68/28/1074176828.db2.gz ULWFRQAHWKBBIN-VXGBXAGGSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328926863 1074176935 /nfs/dbraw/zinc/17/69/35/1074176935.db2.gz WRFAVGPIVNGGGX-CHWSQXEVSA-N 1 2 390.444 -1.245 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328926863 1074176931 /nfs/dbraw/zinc/17/69/31/1074176931.db2.gz WRFAVGPIVNGGGX-CHWSQXEVSA-N 1 2 390.444 -1.245 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328926864 1074176925 /nfs/dbraw/zinc/17/69/25/1074176925.db2.gz WRFAVGPIVNGGGX-OLZOCXBDSA-N 1 2 390.444 -1.245 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000328926864 1074176921 /nfs/dbraw/zinc/17/69/21/1074176921.db2.gz WRFAVGPIVNGGGX-OLZOCXBDSA-N 1 2 390.444 -1.245 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328926865 1074176818 /nfs/dbraw/zinc/17/68/18/1074176818.db2.gz WRFAVGPIVNGGGX-QWHCGFSZSA-N 1 2 390.444 -1.245 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328926865 1074176805 /nfs/dbraw/zinc/17/68/05/1074176805.db2.gz WRFAVGPIVNGGGX-QWHCGFSZSA-N 1 2 390.444 -1.245 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328926866 1074176881 /nfs/dbraw/zinc/17/68/81/1074176881.db2.gz WRFAVGPIVNGGGX-STQMWFEESA-N 1 2 390.444 -1.245 20 0 GAADLO Cn1c2ncn(CCC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000328926866 1074176878 /nfs/dbraw/zinc/17/68/78/1074176878.db2.gz WRFAVGPIVNGGGX-STQMWFEESA-N 1 2 390.444 -1.245 20 0 GAADLO CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000328976685 1073575453 /nfs/dbraw/zinc/57/54/53/1073575453.db2.gz QFYHMUAZVVOEFE-AWEZNQCLSA-N 1 2 387.506 -1.509 20 0 GAADLO CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000328976694 1073575692 /nfs/dbraw/zinc/57/56/92/1073575692.db2.gz QFYHMUAZVVOEFE-CQSZACIVSA-N 1 2 387.506 -1.509 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@]3(O)CCSC3)CC2)CC1 ZINC000329007537 530077280 /nfs/dbraw/zinc/07/72/80/530077280.db2.gz ZKAJERKULJGTPV-AWEZNQCLSA-N 1 2 378.520 -1.509 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@]3(O)CCSC3)CC2)CC1 ZINC000329007538 530077262 /nfs/dbraw/zinc/07/72/62/530077262.db2.gz ZKAJERKULJGTPV-CQSZACIVSA-N 1 2 378.520 -1.509 20 0 GAADLO CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1=O ZINC000329096021 1074215094 /nfs/dbraw/zinc/21/50/94/1074215094.db2.gz LBDNKSBKUXZMSA-ACJLOTCBSA-N 1 2 393.444 -1.476 20 0 GAADLO CN1C(=O)N[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1=O ZINC000329096022 1074215023 /nfs/dbraw/zinc/21/50/23/1074215023.db2.gz LBDNKSBKUXZMSA-FZKQIMNGSA-N 1 2 393.444 -1.476 20 0 GAADLO CN1C(=O)N[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1=O ZINC000329096023 1074215000 /nfs/dbraw/zinc/21/50/00/1074215000.db2.gz LBDNKSBKUXZMSA-SCLBCKFNSA-N 1 2 393.444 -1.476 20 0 GAADLO CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)C1=O ZINC000329096024 1074215065 /nfs/dbraw/zinc/21/50/65/1074215065.db2.gz LBDNKSBKUXZMSA-UGSOOPFHSA-N 1 2 393.444 -1.476 20 0 GAADLO CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@@H]21 ZINC000329108304 1074215482 /nfs/dbraw/zinc/21/54/82/1074215482.db2.gz FOLHGQCDLFWPDF-KFWWJZLASA-N 1 2 379.461 -1.004 20 0 GAADLO CN1C(=O)N[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC[C@@H]21 ZINC000329108310 1074215549 /nfs/dbraw/zinc/21/55/49/1074215549.db2.gz FOLHGQCDLFWPDF-ZNMIVQPWSA-N 1 2 379.461 -1.004 20 0 GAADLO C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329143155 1074873953 /nfs/dbraw/zinc/87/39/53/1074873953.db2.gz VLXQOWDMOBSORS-AWEZNQCLSA-N 1 2 380.449 -0.728 20 0 GAADLO C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329143156 1074888305 /nfs/dbraw/zinc/88/83/05/1074888305.db2.gz VLXQOWDMOBSORS-CQSZACIVSA-N 1 2 380.449 -0.728 20 0 GAADLO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329671746 1074218891 /nfs/dbraw/zinc/21/88/91/1074218891.db2.gz UGRASJXRNQGTMK-KBPBESRZSA-N 1 2 388.490 -1.683 20 0 GAADLO CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329671747 1074218853 /nfs/dbraw/zinc/21/88/53/1074218853.db2.gz UGRASJXRNQGTMK-KGLIPLIRSA-N 1 2 388.490 -1.683 20 0 GAADLO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329671748 1074218863 /nfs/dbraw/zinc/21/88/63/1074218863.db2.gz UGRASJXRNQGTMK-UONOGXRCSA-N 1 2 388.490 -1.683 20 0 GAADLO CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329671749 1074218922 /nfs/dbraw/zinc/21/89/22/1074218922.db2.gz UGRASJXRNQGTMK-ZIAGYGMSSA-N 1 2 388.490 -1.683 20 0 GAADLO CC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329716459 1074620777 /nfs/dbraw/zinc/62/07/77/1074620777.db2.gz WMCGEBCYFSSWTL-HNNXBMFYSA-N 1 2 387.506 -1.366 20 0 GAADLO CC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329716460 1074620674 /nfs/dbraw/zinc/62/06/74/1074620674.db2.gz WMCGEBCYFSSWTL-OAHLLOKOSA-N 1 2 387.506 -1.366 20 0 GAADLO Cn1nc2c(cc1=O)CN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000329806891 1074219917 /nfs/dbraw/zinc/21/99/17/1074219917.db2.gz LMBGCFPKBQHNEO-HNNXBMFYSA-N 1 2 389.456 -1.154 20 0 GAADLO Cn1nc2c(cc1=O)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000329806892 1074220021 /nfs/dbraw/zinc/22/00/21/1074220021.db2.gz LMBGCFPKBQHNEO-OAHLLOKOSA-N 1 2 389.456 -1.154 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c(=O)n(C)c1=O ZINC000329905656 1074220511 /nfs/dbraw/zinc/22/05/11/1074220511.db2.gz AVMMXEQZBVJWFO-NEPJUHHUSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c(=O)n(C)c1=O ZINC000329905656 1074220508 /nfs/dbraw/zinc/22/05/08/1074220508.db2.gz AVMMXEQZBVJWFO-NEPJUHHUSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000329905659 1074220457 /nfs/dbraw/zinc/22/04/57/1074220457.db2.gz AVMMXEQZBVJWFO-NWDGAFQWSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000329905659 1074220452 /nfs/dbraw/zinc/22/04/52/1074220452.db2.gz AVMMXEQZBVJWFO-NWDGAFQWSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000329905661 1074220362 /nfs/dbraw/zinc/22/03/62/1074220362.db2.gz AVMMXEQZBVJWFO-RYUDHWBXSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c(=O)n(C)c1=O ZINC000329905661 1074220355 /nfs/dbraw/zinc/22/03/55/1074220355.db2.gz AVMMXEQZBVJWFO-RYUDHWBXSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000329905662 1074220898 /nfs/dbraw/zinc/22/08/98/1074220898.db2.gz AVMMXEQZBVJWFO-VXGBXAGGSA-N 1 2 376.417 -1.635 20 0 GAADLO Cn1c2ncn(CCC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000329905662 1074220893 /nfs/dbraw/zinc/22/08/93/1074220893.db2.gz AVMMXEQZBVJWFO-VXGBXAGGSA-N 1 2 376.417 -1.635 20 0 GAADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330037721 530097922 /nfs/dbraw/zinc/09/79/22/530097922.db2.gz DMEGYAPPJREGCV-CYBMUJFWSA-N 1 2 383.536 -1.014 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@H+]1CCO ZINC000330058184 530102346 /nfs/dbraw/zinc/10/23/46/530102346.db2.gz YOVQQEVAGFQUAS-CYBMUJFWSA-N 1 2 383.536 -1.014 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CCO ZINC000330058184 530102344 /nfs/dbraw/zinc/10/23/44/530102344.db2.gz YOVQQEVAGFQUAS-CYBMUJFWSA-N 1 2 383.536 -1.014 20 0 GAADLO C[C@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@H+]1CCO ZINC000330058185 530102420 /nfs/dbraw/zinc/10/24/20/530102420.db2.gz YOVQQEVAGFQUAS-ZDUSSCGKSA-N 1 2 383.536 -1.014 20 0 GAADLO C[C@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CCO ZINC000330058185 530102418 /nfs/dbraw/zinc/10/24/18/530102418.db2.gz YOVQQEVAGFQUAS-ZDUSSCGKSA-N 1 2 383.536 -1.014 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000330084050 1074221899 /nfs/dbraw/zinc/22/18/99/1074221899.db2.gz KWJUXGNHDOGOKX-UHFFFAOYSA-N 1 2 384.506 -1.011 20 0 GAADLO CC(=O)N1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330178323 1074222344 /nfs/dbraw/zinc/22/23/44/1074222344.db2.gz LMFTYSPIPFIBFZ-HNNXBMFYSA-N 1 2 387.506 -1.509 20 0 GAADLO CC(=O)N1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000330178324 1074222352 /nfs/dbraw/zinc/22/23/52/1074222352.db2.gz LMFTYSPIPFIBFZ-OAHLLOKOSA-N 1 2 387.506 -1.509 20 0 GAADLO Cn1c2ncn(CC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)c2c(=O)n(C)c1=O ZINC000330249463 1074222395 /nfs/dbraw/zinc/22/23/95/1074222395.db2.gz GTCUERVISCRQOT-JTQLQIEISA-N 1 2 375.389 -2.924 20 0 GAADLO Cn1c2ncn(CC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)c2c(=O)n(C)c1=O ZINC000330249463 1074222392 /nfs/dbraw/zinc/22/23/92/1074222392.db2.gz GTCUERVISCRQOT-JTQLQIEISA-N 1 2 375.389 -2.924 20 0 GAADLO Cn1c2ncn(CC[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000330249464 1074222409 /nfs/dbraw/zinc/22/24/09/1074222409.db2.gz GTCUERVISCRQOT-SNVBAGLBSA-N 1 2 375.389 -2.924 20 0 GAADLO Cn1c2ncn(CC[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000330249464 1074222403 /nfs/dbraw/zinc/22/24/03/1074222403.db2.gz GTCUERVISCRQOT-SNVBAGLBSA-N 1 2 375.389 -2.924 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cn1 ZINC000330377820 530099973 /nfs/dbraw/zinc/09/99/73/530099973.db2.gz QLSWCAOAWNQVCX-GFCCVEGCSA-N 1 2 379.508 -1.040 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cn1 ZINC000330377820 530099972 /nfs/dbraw/zinc/09/99/72/530099972.db2.gz QLSWCAOAWNQVCX-GFCCVEGCSA-N 1 2 379.508 -1.040 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 ZINC000330377821 530099995 /nfs/dbraw/zinc/09/99/95/530099995.db2.gz QLSWCAOAWNQVCX-LBPRGKRZSA-N 1 2 379.508 -1.040 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cn1 ZINC000330377821 530099994 /nfs/dbraw/zinc/09/99/94/530099994.db2.gz QLSWCAOAWNQVCX-LBPRGKRZSA-N 1 2 379.508 -1.040 20 0 GAADLO CCS(=O)(=O)NCCC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000330428022 530100084 /nfs/dbraw/zinc/10/00/84/530100084.db2.gz XQONRFZSLPJRIR-UHFFFAOYSA-N 1 2 376.479 -1.681 20 0 GAADLO CCS(=O)(=O)NCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000330492586 530100173 /nfs/dbraw/zinc/10/01/73/530100173.db2.gz QZRIRVDEEPYNTG-CYBMUJFWSA-N 1 2 376.479 -1.683 20 0 GAADLO CCS(=O)(=O)NCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000330492587 530100062 /nfs/dbraw/zinc/10/00/62/530100062.db2.gz QZRIRVDEEPYNTG-ZDUSSCGKSA-N 1 2 376.479 -1.683 20 0 GAADLO COC(=O)C1CCN(S(=O)(=O)NCC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000330622854 530099945 /nfs/dbraw/zinc/09/99/45/530099945.db2.gz OMVRDASYGNJVDF-UHFFFAOYSA-N 1 2 376.479 -1.130 20 0 GAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330768576 530100103 /nfs/dbraw/zinc/10/01/03/530100103.db2.gz SNACMPSSILRUQZ-CHWSQXEVSA-N 1 2 377.463 -1.210 20 0 GAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330768576 530100101 /nfs/dbraw/zinc/10/01/01/530100101.db2.gz SNACMPSSILRUQZ-CHWSQXEVSA-N 1 2 377.463 -1.210 20 0 GAADLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330768577 530100006 /nfs/dbraw/zinc/10/00/06/530100006.db2.gz SNACMPSSILRUQZ-OLZOCXBDSA-N 1 2 377.463 -1.210 20 0 GAADLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 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ZINC000349507518 530163588 /nfs/dbraw/zinc/16/35/88/530163588.db2.gz YJOZBRLNNYUNBZ-PHIMTYICSA-N 1 2 378.480 -1.240 20 0 GAADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3nc[nH]n3)C[C@@H]2C1 ZINC000349507518 530163585 /nfs/dbraw/zinc/16/35/85/530163585.db2.gz YJOZBRLNNYUNBZ-PHIMTYICSA-N 1 2 378.480 -1.240 20 0 GAADLO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3nnc[nH]3)C[C@@H]2C1 ZINC000349507518 530163583 /nfs/dbraw/zinc/16/35/83/530163583.db2.gz YJOZBRLNNYUNBZ-PHIMTYICSA-N 1 2 378.480 -1.240 20 0 GAADLO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3nnc[nH]3)C[C@@H]2C1 ZINC000349507518 530163579 /nfs/dbraw/zinc/16/35/79/530163579.db2.gz YJOZBRLNNYUNBZ-PHIMTYICSA-N 1 2 378.480 -1.240 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC[N@H+]1CCO ZINC000349508586 530108574 /nfs/dbraw/zinc/10/85/74/530108574.db2.gz WLCOQRMBKCVBJU-GFCCVEGCSA-N 1 2 395.507 -1.130 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC[N@@H+]1CCO ZINC000349508586 530108572 /nfs/dbraw/zinc/10/85/72/530108572.db2.gz WLCOQRMBKCVBJU-GFCCVEGCSA-N 1 2 395.507 -1.130 20 0 GAADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC[N@H+]1CCO ZINC000349508588 530108490 /nfs/dbraw/zinc/10/84/90/530108490.db2.gz WLCOQRMBKCVBJU-LBPRGKRZSA-N 1 2 395.507 -1.130 20 0 GAADLO C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC[N@@H+]1CCO ZINC000349508588 530108489 /nfs/dbraw/zinc/10/84/89/530108489.db2.gz WLCOQRMBKCVBJU-LBPRGKRZSA-N 1 2 395.507 -1.130 20 0 GAADLO Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)nn1C ZINC000349509076 530163835 /nfs/dbraw/zinc/16/38/35/530163835.db2.gz YFYDWSYJDACLRT-UHFFFAOYSA-N 1 2 380.496 -1.169 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1C[C@H](O)[C@H](CO)C1)Nc1cc[nH+]cc1 ZINC000349510653 530163628 /nfs/dbraw/zinc/16/36/28/530163628.db2.gz PDIZGHOPLDFZKY-AAEUAGOBSA-N 1 2 379.460 -1.750 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1C[C@H](CO)[C@H](O)C1)Nc1cc[nH+]cc1 ZINC000349510654 530163674 /nfs/dbraw/zinc/16/36/74/530163674.db2.gz PDIZGHOPLDFZKY-DGCLKSJQSA-N 1 2 379.460 -1.750 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1C[C@@H](O)[C@H](CO)C1)Nc1cc[nH+]cc1 ZINC000349510655 530163737 /nfs/dbraw/zinc/16/37/37/530163737.db2.gz PDIZGHOPLDFZKY-WCQYABFASA-N 1 2 379.460 -1.750 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1)Nc1cc[nH+]cc1 ZINC000349510656 530163482 /nfs/dbraw/zinc/16/34/82/530163482.db2.gz PDIZGHOPLDFZKY-YPMHNXCESA-N 1 2 379.460 -1.750 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)Nc1ccon1 ZINC000349515545 530115220 /nfs/dbraw/zinc/11/52/20/530115220.db2.gz WWRPTGMEVFVRDG-NWDGAFQWSA-N 1 2 394.475 -1.113 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccon1 ZINC000349515545 530115219 /nfs/dbraw/zinc/11/52/19/530115219.db2.gz WWRPTGMEVFVRDG-NWDGAFQWSA-N 1 2 394.475 -1.113 20 0 GAADLO Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000349517133 530163644 /nfs/dbraw/zinc/16/36/44/530163644.db2.gz FDBHOKCRSSCMNC-GFCCVEGCSA-N 1 2 394.523 -1.275 20 0 GAADLO Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000349517134 530163520 /nfs/dbraw/zinc/16/35/20/530163520.db2.gz FDBHOKCRSSCMNC-LBPRGKRZSA-N 1 2 394.523 -1.275 20 0 GAADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000349522404 530108409 /nfs/dbraw/zinc/10/84/09/530108409.db2.gz NJKSJAGFHMJJED-LLVKDONJSA-N 1 2 380.496 -1.087 20 0 GAADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000349522405 530108400 /nfs/dbraw/zinc/10/84/00/530108400.db2.gz NJKSJAGFHMJJED-NSHDSACASA-N 1 2 380.496 -1.087 20 0 GAADLO C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349523490 530164347 /nfs/dbraw/zinc/16/43/47/530164347.db2.gz OKJVWQMOQXXEAK-LLVKDONJSA-N 1 2 376.460 -1.215 20 0 GAADLO C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349523491 530164428 /nfs/dbraw/zinc/16/44/28/530164428.db2.gz OKJVWQMOQXXEAK-NSHDSACASA-N 1 2 376.460 -1.215 20 0 GAADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)nn1 ZINC000349529214 530108214 /nfs/dbraw/zinc/10/82/14/530108214.db2.gz ZLFODJXSISZIDT-LLVKDONJSA-N 1 2 380.496 -1.087 20 0 GAADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H]([NH+](C)C)C2)nn1 ZINC000349529215 530108008 /nfs/dbraw/zinc/10/80/08/530108008.db2.gz ZLFODJXSISZIDT-NSHDSACASA-N 1 2 380.496 -1.087 20 0 GAADLO NC(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349529894 530094826 /nfs/dbraw/zinc/09/48/26/530094826.db2.gz BDSYOJVHSYNVNS-LBPRGKRZSA-N 1 2 376.460 -1.085 20 0 GAADLO CC[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N=c2nc[nH]n2C)CC1 ZINC000349531582 530164168 /nfs/dbraw/zinc/16/41/68/530164168.db2.gz KSVDMFMJDWXMPK-UHFFFAOYSA-N 1 2 394.523 -1.274 20 0 GAADLO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N=c2nc[nH]n2C)CC1 ZINC000349531582 530164167 /nfs/dbraw/zinc/16/41/67/530164167.db2.gz KSVDMFMJDWXMPK-UHFFFAOYSA-N 1 2 394.523 -1.274 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CCC[N@H+](CCO)CC1)Nc1nc[nH]n1 ZINC000349532161 530164479 /nfs/dbraw/zinc/16/44/79/530164479.db2.gz NUXGVRPHNFQFEF-UHFFFAOYSA-N 1 2 396.495 -1.734 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CCC[N@@H+](CCO)CC1)Nc1nc[nH]n1 ZINC000349532161 530164477 /nfs/dbraw/zinc/16/44/77/530164477.db2.gz NUXGVRPHNFQFEF-UHFFFAOYSA-N 1 2 396.495 -1.734 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CCC[N@H+](CCO)CC1)Nc1nnc[nH]1 ZINC000349532161 530164473 /nfs/dbraw/zinc/16/44/73/530164473.db2.gz NUXGVRPHNFQFEF-UHFFFAOYSA-N 1 2 396.495 -1.734 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CCC[N@@H+](CCO)CC1)Nc1nnc[nH]1 ZINC000349532161 530164471 /nfs/dbraw/zinc/16/44/71/530164471.db2.gz NUXGVRPHNFQFEF-UHFFFAOYSA-N 1 2 396.495 -1.734 20 0 GAADLO Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)n(C)[nH]1 ZINC000349532638 530115244 /nfs/dbraw/zinc/11/52/44/530115244.db2.gz BQKDWJZFQJGGOE-UHFFFAOYSA-N 1 2 394.523 -1.355 20 0 GAADLO Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)n(C)[nH]1 ZINC000349532638 530115242 /nfs/dbraw/zinc/11/52/42/530115242.db2.gz BQKDWJZFQJGGOE-UHFFFAOYSA-N 1 2 394.523 -1.355 20 0 GAADLO Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[NH+](CCO)CC2)n1 ZINC000349533714 530164188 /nfs/dbraw/zinc/16/41/88/530164188.db2.gz DSSYUDUSLGQUGT-UHFFFAOYSA-N 1 2 395.507 -1.508 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CCO)CC1)Nc1ccnnc1 ZINC000349533735 530164452 /nfs/dbraw/zinc/16/44/52/530164452.db2.gz DUOPFEZOPYFZKM-UHFFFAOYSA-N 1 2 393.491 -1.452 20 0 GAADLO Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000349534217 530108774 /nfs/dbraw/zinc/10/87/74/530108774.db2.gz GBDMMPAPYFECJG-UHFFFAOYSA-N 1 2 395.507 -1.210 20 0 GAADLO Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000349534528 530164634 /nfs/dbraw/zinc/16/46/34/530164634.db2.gz HASFCWSTERTFDK-UHFFFAOYSA-N 1 2 395.507 -1.508 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@]1(O)CCOC1 ZINC000349534665 530164887 /nfs/dbraw/zinc/16/48/87/530164887.db2.gz IHWVTIIHZRLFMQ-CYBMUJFWSA-N 1 2 379.460 -1.294 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)Nc1cc[nH+]cc1)NC[C@@]1(O)CCOC1 ZINC000349534666 530164980 /nfs/dbraw/zinc/16/49/80/530164980.db2.gz IHWVTIIHZRLFMQ-ZDUSSCGKSA-N 1 2 379.460 -1.294 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCCn3ncnc32)CC1 ZINC000349536338 530165039 /nfs/dbraw/zinc/16/50/39/530165039.db2.gz KWNATEOEUXZOMB-UHFFFAOYSA-N 1 2 392.507 -1.215 20 0 GAADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)nn1 ZINC000349536924 530165102 /nfs/dbraw/zinc/16/51/02/530165102.db2.gz MIBVFLBFWHOSII-UHFFFAOYSA-N 1 2 380.496 -1.086 20 0 GAADLO Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)nn1 ZINC000349536924 530165100 /nfs/dbraw/zinc/16/51/00/530165100.db2.gz MIBVFLBFWHOSII-UHFFFAOYSA-N 1 2 380.496 -1.086 20 0 GAADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)n1 ZINC000349538201 530164964 /nfs/dbraw/zinc/16/49/64/530164964.db2.gz OEYWUWDUQFUDND-UHFFFAOYSA-N 1 2 380.496 -1.086 20 0 GAADLO Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)n1 ZINC000349538201 530164962 /nfs/dbraw/zinc/16/49/62/530164962.db2.gz OEYWUWDUQFUDND-UHFFFAOYSA-N 1 2 380.496 -1.086 20 0 GAADLO CO[C@@H]1COC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349539779 530165073 /nfs/dbraw/zinc/16/50/73/530165073.db2.gz XLLZPELIIMQHMA-QWHCGFSZSA-N 1 2 379.460 -1.032 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CCO)CC1)Nc1cn[nH]c1 ZINC000349540453 530164712 /nfs/dbraw/zinc/16/47/12/530164712.db2.gz TYCDOUORQHXVEB-UHFFFAOYSA-N 1 2 381.480 -1.519 20 0 GAADLO Cn1ncnc1NS(=O)(=O)CCCS(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000349540505 530164805 /nfs/dbraw/zinc/16/48/05/530164805.db2.gz UMLVJZGJQQFTGM-UHFFFAOYSA-N 1 2 380.496 -1.664 20 0 GAADLO Cn1ncnc1NS(=O)(=O)CCCS(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000349540505 530164802 /nfs/dbraw/zinc/16/48/02/530164802.db2.gz UMLVJZGJQQFTGM-UHFFFAOYSA-N 1 2 380.496 -1.664 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]n2)CC1 ZINC000349540847 530165036 /nfs/dbraw/zinc/16/50/36/530165036.db2.gz VACLKAZXMHTXRH-UHFFFAOYSA-N 1 2 379.464 -1.109 20 0 GAADLO O=S(=O)(CCCS(=O)(=O)N1CCN(CCO)CC1)Nc1cc[nH+]cc1 ZINC000349541859 530108814 /nfs/dbraw/zinc/10/88/14/530108814.db2.gz WSLJBZLKFOUBJW-UHFFFAOYSA-N 1 2 392.503 -1.425 20 0 GAADLO CO[C@@H]1COC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349542266 530108805 /nfs/dbraw/zinc/10/88/05/530108805.db2.gz XLLZPELIIMQHMA-CHWSQXEVSA-N 1 2 379.460 -1.032 20 0 GAADLO NC(=O)C1(NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)CCC1 ZINC000349550437 530115817 /nfs/dbraw/zinc/11/58/17/530115817.db2.gz HQQXLNJRCGWYCZ-UHFFFAOYSA-N 1 2 376.460 -1.037 20 0 GAADLO NC(=O)[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349554692 530115938 /nfs/dbraw/zinc/11/59/38/530115938.db2.gz MSGXPSWVFIMOGY-KLPPZKSPSA-N 1 2 376.460 -1.181 20 0 GAADLO CN1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1=O ZINC000349554763 530164749 /nfs/dbraw/zinc/16/47/49/530164749.db2.gz NBNSJUUBQCWVAM-GFCCVEGCSA-N 1 2 376.460 -1.215 20 0 GAADLO CN1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1=O ZINC000349554764 530164934 /nfs/dbraw/zinc/16/49/34/530164934.db2.gz NBNSJUUBQCWVAM-LBPRGKRZSA-N 1 2 376.460 -1.215 20 0 GAADLO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 ZINC000349560204 530165832 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CNC(=O)C[N@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000372187700 1075639418 /nfs/dbraw/zinc/63/94/18/1075639418.db2.gz SCUURKORNMYMCV-UHFFFAOYSA-N 1 2 398.489 -1.177 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000372187700 1075639415 /nfs/dbraw/zinc/63/94/15/1075639415.db2.gz SCUURKORNMYMCV-UHFFFAOYSA-N 1 2 398.489 -1.177 20 0 GAADLO CCS(=O)(=O)NCCN1CC[N@@H+](CCNS(=O)(=O)CC)CC(O)C1 ZINC000372293071 530104978 /nfs/dbraw/zinc/10/49/78/530104978.db2.gz GKVVGRAPRGWPGL-UHFFFAOYSA-N 1 2 386.540 -2.157 20 0 GAADLO CCS(=O)(=O)NCCN1CC[N@H+](CCNS(=O)(=O)CC)CC(O)C1 ZINC000372293071 530104977 /nfs/dbraw/zinc/10/49/77/530104977.db2.gz GKVVGRAPRGWPGL-UHFFFAOYSA-N 1 2 386.540 -2.157 20 0 GAADLO O=C(C(=O)N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1)N1CCOCC1 ZINC000372309904 1075639955 /nfs/dbraw/zinc/63/99/55/1075639955.db2.gz QFHWWOYVMGNTNH-AWEZNQCLSA-N 1 2 375.429 -1.025 20 0 GAADLO O=C(C(=O)N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1)N1CCOCC1 ZINC000372309905 1075639941 /nfs/dbraw/zinc/63/99/41/1075639941.db2.gz QFHWWOYVMGNTNH-CQSZACIVSA-N 1 2 375.429 -1.025 20 0 GAADLO Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526836 1075640666 /nfs/dbraw/zinc/64/06/66/1075640666.db2.gz KVSMNOMGNCTKAD-DZGCQCFKSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526836 1075640662 /nfs/dbraw/zinc/64/06/62/1075640662.db2.gz KVSMNOMGNCTKAD-DZGCQCFKSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526837 1075640753 /nfs/dbraw/zinc/64/07/53/1075640753.db2.gz KVSMNOMGNCTKAD-HIFRSBDPSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526837 1075640749 /nfs/dbraw/zinc/64/07/49/1075640749.db2.gz KVSMNOMGNCTKAD-HIFRSBDPSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526838 1075640787 /nfs/dbraw/zinc/64/07/87/1075640787.db2.gz KVSMNOMGNCTKAD-UKRRQHHQSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1cc(N2CC[C@@H](NC(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526838 1075640785 /nfs/dbraw/zinc/64/07/85/1075640785.db2.gz KVSMNOMGNCTKAD-UKRRQHHQSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526839 1075640817 /nfs/dbraw/zinc/64/08/17/1075640817.db2.gz KVSMNOMGNCTKAD-ZFWWWQNUSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1cc(N2CC[C@H](NC(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)C2)cn1 ZINC000372526839 1075640815 /nfs/dbraw/zinc/64/08/15/1075640815.db2.gz KVSMNOMGNCTKAD-ZFWWWQNUSA-N 1 2 379.465 -1.174 20 0 GAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000372528000 1075640768 /nfs/dbraw/zinc/64/07/68/1075640768.db2.gz VZZZWMAXOFPGNV-CYBMUJFWSA-N 1 2 376.417 -1.469 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000372528000 1075640766 /nfs/dbraw/zinc/64/07/66/1075640766.db2.gz VZZZWMAXOFPGNV-CYBMUJFWSA-N 1 2 376.417 -1.469 20 0 GAADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000372528001 1075640778 /nfs/dbraw/zinc/64/07/78/1075640778.db2.gz VZZZWMAXOFPGNV-ZDUSSCGKSA-N 1 2 376.417 -1.469 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)CCn2nc3ccccn3c2=O)CCO1 ZINC000372528001 1075640776 /nfs/dbraw/zinc/64/07/76/1075640776.db2.gz VZZZWMAXOFPGNV-ZDUSSCGKSA-N 1 2 376.417 -1.469 20 0 GAADLO Cn1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528112 1075640809 /nfs/dbraw/zinc/64/08/09/1075640809.db2.gz WXVNOBYWGPNCKT-KBPBESRZSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528112 1075640807 /nfs/dbraw/zinc/64/08/07/1075640807.db2.gz WXVNOBYWGPNCKT-KBPBESRZSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528113 1075640731 /nfs/dbraw/zinc/64/07/31/1075640731.db2.gz WXVNOBYWGPNCKT-KGLIPLIRSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528113 1075640729 /nfs/dbraw/zinc/64/07/29/1075640729.db2.gz WXVNOBYWGPNCKT-KGLIPLIRSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528114 1075640723 /nfs/dbraw/zinc/64/07/23/1075640723.db2.gz WXVNOBYWGPNCKT-UONOGXRCSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528114 1075640720 /nfs/dbraw/zinc/64/07/20/1075640720.db2.gz WXVNOBYWGPNCKT-UONOGXRCSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C[N@@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528115 1075640828 /nfs/dbraw/zinc/64/08/28/1075640828.db2.gz WXVNOBYWGPNCKT-ZIAGYGMSSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)C2)n1 ZINC000372528115 1075640825 /nfs/dbraw/zinc/64/08/25/1075640825.db2.gz WXVNOBYWGPNCKT-ZIAGYGMSSA-N 1 2 379.465 -1.174 20 0 GAADLO Cn1nc2n(c1=O)CCN(C(=O)NCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC000372591240 1075641147 /nfs/dbraw/zinc/64/11/47/1075641147.db2.gz HGJRIMPJLHRDHK-UHFFFAOYSA-N 1 2 387.448 -1.281 20 0 GAADLO NC(=O)CCn1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000372658388 1074875494 /nfs/dbraw/zinc/87/54/94/1074875494.db2.gz YHKYDKNKBRDVKJ-CYBMUJFWSA-N 1 2 378.433 -1.122 20 0 GAADLO NC(=O)CCn1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000372658395 1074875606 /nfs/dbraw/zinc/87/56/06/1074875606.db2.gz YHKYDKNKBRDVKJ-ZDUSSCGKSA-N 1 2 378.433 -1.122 20 0 GAADLO COC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000372714575 1075642920 /nfs/dbraw/zinc/64/29/20/1075642920.db2.gz LMUNJHZEBOYXFA-INIZCTEOSA-N 1 2 396.488 -1.126 20 0 GAADLO COC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000372714576 1075642864 /nfs/dbraw/zinc/64/28/64/1075642864.db2.gz LMUNJHZEBOYXFA-MRXNPFEDSA-N 1 2 396.488 -1.126 20 0 GAADLO COC(CN(CCCO)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OC ZINC000372726667 1075643681 /nfs/dbraw/zinc/64/36/81/1075643681.db2.gz NRLHJPVPERZGBL-HNNXBMFYSA-N 1 2 387.477 -1.003 20 0 GAADLO COC(CN(CCCO)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)OC ZINC000372726671 1075643643 /nfs/dbraw/zinc/64/36/43/1075643643.db2.gz NRLHJPVPERZGBL-OAHLLOKOSA-N 1 2 387.477 -1.003 20 0 GAADLO CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000372732083 1075643612 /nfs/dbraw/zinc/64/36/12/1075643612.db2.gz ZZZMTTKPSRNRNT-KBPBESRZSA-N 1 2 388.490 -1.683 20 0 GAADLO CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000372732084 1075643590 /nfs/dbraw/zinc/64/35/90/1075643590.db2.gz ZZZMTTKPSRNRNT-KGLIPLIRSA-N 1 2 388.490 -1.683 20 0 GAADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000372732085 1075643599 /nfs/dbraw/zinc/64/35/99/1075643599.db2.gz ZZZMTTKPSRNRNT-UONOGXRCSA-N 1 2 388.490 -1.683 20 0 GAADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000372732086 1075643623 /nfs/dbraw/zinc/64/36/23/1075643623.db2.gz ZZZMTTKPSRNRNT-ZIAGYGMSSA-N 1 2 388.490 -1.683 20 0 GAADLO CC(C)NS(=O)(=O)NCCNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000372865202 1075649634 /nfs/dbraw/zinc/64/96/34/1075649634.db2.gz FKWPNAALDDJSDW-UHFFFAOYSA-N 1 2 388.494 -1.223 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000372956960 530105596 /nfs/dbraw/zinc/10/55/96/530105596.db2.gz YNWRZGMDYHYYEE-UHFFFAOYSA-N 1 2 398.551 -1.306 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000372956960 530105594 /nfs/dbraw/zinc/10/55/94/530105594.db2.gz YNWRZGMDYHYYEE-UHFFFAOYSA-N 1 2 398.551 -1.306 20 0 GAADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373126117 530105837 /nfs/dbraw/zinc/10/58/37/530105837.db2.gz PJYSPEZWUCOUPZ-CYBMUJFWSA-N 1 2 377.463 -1.208 20 0 GAADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373126117 530105835 /nfs/dbraw/zinc/10/58/35/530105835.db2.gz PJYSPEZWUCOUPZ-CYBMUJFWSA-N 1 2 377.463 -1.208 20 0 GAADLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373126119 530105891 /nfs/dbraw/zinc/10/58/91/530105891.db2.gz PJYSPEZWUCOUPZ-ZDUSSCGKSA-N 1 2 377.463 -1.208 20 0 GAADLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000373126119 530105890 /nfs/dbraw/zinc/10/58/90/530105890.db2.gz PJYSPEZWUCOUPZ-ZDUSSCGKSA-N 1 2 377.463 -1.208 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000373210367 530105449 /nfs/dbraw/zinc/10/54/49/530105449.db2.gz YYIVPUKRZCOHSH-UHFFFAOYSA-N 1 2 384.524 -1.649 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000373210367 530105446 /nfs/dbraw/zinc/10/54/46/530105446.db2.gz YYIVPUKRZCOHSH-UHFFFAOYSA-N 1 2 384.524 -1.649 20 0 GAADLO COCC(C)(C(=O)NC[C@H]1CN(C)CCO1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000373586535 1075664622 /nfs/dbraw/zinc/66/46/22/1075664622.db2.gz SXPAYXCKJTWUIR-GJZGRUSLSA-N 1 2 386.493 -1.467 20 0 GAADLO COCC(C)(C(=O)NC[C@H]1CN(C)CCO1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000373586535 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CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000375670555 1073587289 /nfs/dbraw/zinc/58/72/89/1073587289.db2.gz BSAUVIBDRBBDFL-ROUUACIJSA-N 1 2 389.412 -1.203 20 0 GAADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000375670555 1073587280 /nfs/dbraw/zinc/58/72/80/1073587280.db2.gz BSAUVIBDRBBDFL-ROUUACIJSA-N 1 2 389.412 -1.203 20 0 GAADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000375670556 1073587054 /nfs/dbraw/zinc/58/70/54/1073587054.db2.gz BSAUVIBDRBBDFL-ZWKOTPCHSA-N 1 2 389.412 -1.203 20 0 GAADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000375670556 1073587040 /nfs/dbraw/zinc/58/70/40/1073587040.db2.gz BSAUVIBDRBBDFL-ZWKOTPCHSA-N 1 2 389.412 -1.203 20 0 GAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000375691505 530106263 /nfs/dbraw/zinc/10/62/63/530106263.db2.gz WUEAKHFDWWWZAS-CYBMUJFWSA-N 1 2 398.551 -1.260 20 0 GAADLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000375691505 530106262 /nfs/dbraw/zinc/10/62/62/530106262.db2.gz WUEAKHFDWWWZAS-CYBMUJFWSA-N 1 2 398.551 -1.260 20 0 GAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000375691509 530106240 /nfs/dbraw/zinc/10/62/40/530106240.db2.gz WUEAKHFDWWWZAS-ZDUSSCGKSA-N 1 2 398.551 -1.260 20 0 GAADLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000375691509 530106238 /nfs/dbraw/zinc/10/62/38/530106238.db2.gz WUEAKHFDWWWZAS-ZDUSSCGKSA-N 1 2 398.551 -1.260 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)CC1 ZINC000375717587 530106304 /nfs/dbraw/zinc/10/63/04/530106304.db2.gz PFGGRAUYPMZZCG-UHFFFAOYSA-N 1 2 375.495 -1.557 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)CC1 ZINC000375717587 530106303 /nfs/dbraw/zinc/10/63/03/530106303.db2.gz PFGGRAUYPMZZCG-UHFFFAOYSA-N 1 2 375.495 -1.557 20 0 GAADLO COCCCS(=O)(=O)NCC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000375869694 1073733737 /nfs/dbraw/zinc/73/37/37/1073733737.db2.gz IJJZJWNJABCYNF-AWEZNQCLSA-N 1 2 390.506 -1.245 20 0 GAADLO COCCCS(=O)(=O)NCC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000375869699 1073733894 /nfs/dbraw/zinc/73/38/94/1073733894.db2.gz IJJZJWNJABCYNF-CQSZACIVSA-N 1 2 390.506 -1.245 20 0 GAADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN2C1=O ZINC000375873657 1073735107 /nfs/dbraw/zinc/73/51/07/1073735107.db2.gz OZICKXITRKOIEZ-GFCCVEGCSA-N 1 2 389.478 -1.648 20 0 GAADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN2C1=O ZINC000375873657 1073735105 /nfs/dbraw/zinc/73/51/05/1073735105.db2.gz OZICKXITRKOIEZ-GFCCVEGCSA-N 1 2 389.478 -1.648 20 0 GAADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN2C1=O ZINC000375873658 1073735027 /nfs/dbraw/zinc/73/50/27/1073735027.db2.gz OZICKXITRKOIEZ-LBPRGKRZSA-N 1 2 389.478 -1.648 20 0 GAADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CCN2C1=O ZINC000375873658 1073735021 /nfs/dbraw/zinc/73/50/21/1073735021.db2.gz OZICKXITRKOIEZ-LBPRGKRZSA-N 1 2 389.478 -1.648 20 0 GAADLO Cn1c2[nH]c(CN3CC[NH+]([C@@H]4CCCCNC4=O)CC3)nc2c(=O)n(C)c1=O ZINC000375878536 1073735094 /nfs/dbraw/zinc/73/50/94/1073735094.db2.gz ZGOQBYPDDAYBSD-GFCCVEGCSA-N 1 2 389.460 -1.253 20 0 GAADLO Cn1c2[nH]c(CN3CC[NH+]([C@H]4CCCCNC4=O)CC3)nc2c(=O)n(C)c1=O ZINC000375878537 1073735146 /nfs/dbraw/zinc/73/51/46/1073735146.db2.gz ZGOQBYPDDAYBSD-LBPRGKRZSA-N 1 2 389.460 -1.253 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000376019767 1073741757 /nfs/dbraw/zinc/74/17/57/1073741757.db2.gz BYVZFSOSVWYIRX-HNNXBMFYSA-N 1 2 377.449 -1.013 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000376019767 1073741749 /nfs/dbraw/zinc/74/17/49/1073741749.db2.gz BYVZFSOSVWYIRX-HNNXBMFYSA-N 1 2 377.449 -1.013 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000376019768 1073741961 /nfs/dbraw/zinc/74/19/61/1073741961.db2.gz BYVZFSOSVWYIRX-OAHLLOKOSA-N 1 2 377.449 -1.013 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000376019768 1073741955 /nfs/dbraw/zinc/74/19/55/1073741955.db2.gz BYVZFSOSVWYIRX-OAHLLOKOSA-N 1 2 377.449 -1.013 20 0 GAADLO CC(C)Nc1nc(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)nc(NCCO)[nH+]1 ZINC000376184775 1073755876 /nfs/dbraw/zinc/75/58/76/1073755876.db2.gz OFCHIAMREWJGBP-GFCCVEGCSA-N 1 2 387.510 -1.200 20 0 GAADLO CC(C)Nc1nc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)nc(NCCO)[nH+]1 ZINC000376184776 1073755926 /nfs/dbraw/zinc/75/59/26/1073755926.db2.gz OFCHIAMREWJGBP-LBPRGKRZSA-N 1 2 387.510 -1.200 20 0 GAADLO CC(C)Nc1nc(N2CCn3c(nnc3-c3cnn(C)c3)C2)nc(NCCO)[nH+]1 ZINC000376219253 1073761225 /nfs/dbraw/zinc/76/12/25/1073761225.db2.gz DVPRSGBUVAANKJ-UHFFFAOYSA-N 1 2 399.463 -1.048 20 0 GAADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376406186 1073777621 /nfs/dbraw/zinc/77/76/21/1073777621.db2.gz CVCKTZUQCZOQSJ-DZKIICNBSA-N 1 2 383.445 -1.308 20 0 GAADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376406190 1073777608 /nfs/dbraw/zinc/77/76/08/1073777608.db2.gz CVCKTZUQCZOQSJ-FMKPAKJESA-N 1 2 383.445 -1.308 20 0 GAADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376406191 1073777648 /nfs/dbraw/zinc/77/76/48/1073777648.db2.gz CVCKTZUQCZOQSJ-LZWOXQAQSA-N 1 2 383.445 -1.308 20 0 GAADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000376406192 1073777588 /nfs/dbraw/zinc/77/75/88/1073777588.db2.gz CVCKTZUQCZOQSJ-YCPHGPKFSA-N 1 2 383.445 -1.308 20 0 GAADLO CC(C)Nc1nc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nc(NCCO)[nH+]1 ZINC000376407610 1073778156 /nfs/dbraw/zinc/77/81/56/1073778156.db2.gz LXLLLACOLXJAHV-KRWDZBQOSA-N 1 2 392.464 -1.246 20 0 GAADLO CC(C)Nc1nc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nc(NCCO)[nH+]1 ZINC000376407613 1073777966 /nfs/dbraw/zinc/77/79/66/1073777966.db2.gz LXLLLACOLXJAHV-QGZVFWFLSA-N 1 2 392.464 -1.246 20 0 GAADLO CC(C)Nc1nc(N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000376407795 1073778675 /nfs/dbraw/zinc/77/86/75/1073778675.db2.gz NBLZHJRPDGSOLK-CYBMUJFWSA-N 1 2 399.521 -1.056 20 0 GAADLO CC(C)Nc1nc(N2CC[C@H](S(=O)(=O)N3CCCC3)C2)nc(NCCO)[nH+]1 ZINC000376407805 1073778703 /nfs/dbraw/zinc/77/87/03/1073778703.db2.gz NBLZHJRPDGSOLK-ZDUSSCGKSA-N 1 2 399.521 -1.056 20 0 GAADLO CCN1C(=O)[C@H]2CN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CCN2C1=O ZINC000376410434 1073778049 /nfs/dbraw/zinc/77/80/49/1073778049.db2.gz WBEAIIBORGWLBN-LLVKDONJSA-N 1 2 378.437 -1.587 20 0 GAADLO CCN1C(=O)[C@@H]2CN(c3nc(NCCO)[nH+]c(NC(C)C)n3)CCN2C1=O ZINC000376410435 1073778548 /nfs/dbraw/zinc/77/85/48/1073778548.db2.gz WBEAIIBORGWLBN-NSHDSACASA-N 1 2 378.437 -1.587 20 0 GAADLO CC(C)Nc1nc(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)nc(NCCO)[nH+]1 ZINC000376412440 1073778690 /nfs/dbraw/zinc/77/86/90/1073778690.db2.gz YVKPAONVMUAOJE-GFCCVEGCSA-N 1 2 387.510 -1.154 20 0 GAADLO CC(C)Nc1nc(N2CC[C@H](S(=O)(=O)NC(C)C)C2)nc(NCCO)[nH+]1 ZINC000376412445 1073778527 /nfs/dbraw/zinc/77/85/27/1073778527.db2.gz YVKPAONVMUAOJE-LBPRGKRZSA-N 1 2 387.510 -1.154 20 0 GAADLO CC(C)Nc1nc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc(NCCO)[nH+]1 ZINC000376424651 1073779214 /nfs/dbraw/zinc/77/92/14/1073779214.db2.gz XHOLCRUSTKWFJM-UHFFFAOYSA-N 1 2 399.521 -1.056 20 0 GAADLO CC(C)Nc1nc(N2CCC[C@@H]2c2nc(C(N)=O)no2)nc(NCCO)[nH+]1 ZINC000376438580 1073779177 /nfs/dbraw/zinc/77/91/77/1073779177.db2.gz YBKPZQGFSCSEKH-SECBINFHSA-N 1 2 377.409 -1.237 20 0 GAADLO CC(C)Nc1nc(N2CCC[C@H]2c2nc(C(N)=O)no2)nc(NCCO)[nH+]1 ZINC000376438581 1073779786 /nfs/dbraw/zinc/77/97/86/1073779786.db2.gz YBKPZQGFSCSEKH-VIFPVBQESA-N 1 2 377.409 -1.237 20 0 GAADLO COC(=O)c1cn([C@@H]2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)C2)nn1 ZINC000376486774 1073783566 /nfs/dbraw/zinc/78/35/66/1073783566.db2.gz TVFYGIIQMRJCMN-LLVKDONJSA-N 1 2 391.436 -1.231 20 0 GAADLO COC(=O)c1cn([C@H]2CCN(c3nc(NCCO)[nH+]c(NC(C)C)n3)C2)nn1 ZINC000376486775 1073783435 /nfs/dbraw/zinc/78/34/35/1073783435.db2.gz TVFYGIIQMRJCMN-NSHDSACASA-N 1 2 391.436 -1.231 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376575227 1073796896 /nfs/dbraw/zinc/79/68/96/1073796896.db2.gz SRTWNJCBQMATIK-HNNXBMFYSA-N 1 2 377.449 -1.155 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376575227 1073796892 /nfs/dbraw/zinc/79/68/92/1073796892.db2.gz SRTWNJCBQMATIK-HNNXBMFYSA-N 1 2 377.449 -1.155 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376575228 1073797056 /nfs/dbraw/zinc/79/70/56/1073797056.db2.gz SRTWNJCBQMATIK-OAHLLOKOSA-N 1 2 377.449 -1.155 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376575228 1073797052 /nfs/dbraw/zinc/79/70/52/1073797052.db2.gz SRTWNJCBQMATIK-OAHLLOKOSA-N 1 2 377.449 -1.155 20 0 GAADLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000376657221 1073806115 /nfs/dbraw/zinc/80/61/15/1073806115.db2.gz KWXPRYMXMFHEPE-QLFBSQMISA-N 1 2 382.461 -1.329 20 0 GAADLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000376657226 1073805858 /nfs/dbraw/zinc/80/58/58/1073805858.db2.gz KWXPRYMXMFHEPE-SOUVJXGZSA-N 1 2 382.461 -1.329 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000376763822 1073812470 /nfs/dbraw/zinc/81/24/70/1073812470.db2.gz BBRYWMXIDDBURM-LSDHHAIUSA-N 1 2 382.461 -1.327 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000376763822 1073812458 /nfs/dbraw/zinc/81/24/58/1073812458.db2.gz BBRYWMXIDDBURM-LSDHHAIUSA-N 1 2 382.461 -1.327 20 0 GAADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1F ZINC000376860835 1073813027 /nfs/dbraw/zinc/81/30/27/1073813027.db2.gz RCRKHQVCBXCNGV-GFCCVEGCSA-N 1 2 399.448 -1.212 20 0 GAADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1F ZINC000376860836 1073813218 /nfs/dbraw/zinc/81/32/18/1073813218.db2.gz RCRKHQVCBXCNGV-LBPRGKRZSA-N 1 2 399.448 -1.212 20 0 GAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000377061092 1073814382 /nfs/dbraw/zinc/81/43/82/1073814382.db2.gz JFXUQRFFLUYLKY-CABCVRRESA-N 1 2 393.492 -1.341 20 0 GAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000377061095 1073814477 /nfs/dbraw/zinc/81/44/77/1073814477.db2.gz JFXUQRFFLUYLKY-GJZGRUSLSA-N 1 2 393.492 -1.341 20 0 GAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000377061096 1073814290 /nfs/dbraw/zinc/81/42/90/1073814290.db2.gz JFXUQRFFLUYLKY-HUUCEWRRSA-N 1 2 393.492 -1.341 20 0 GAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000377061098 1073814404 /nfs/dbraw/zinc/81/44/04/1073814404.db2.gz JFXUQRFFLUYLKY-LSDHHAIUSA-N 1 2 393.492 -1.341 20 0 GAADLO COCCCS(=O)(=O)NCC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000377262323 1073816984 /nfs/dbraw/zinc/81/69/84/1073816984.db2.gz OSWNBMUNRYTVGC-UHFFFAOYSA-N 1 2 390.506 -1.293 20 0 GAADLO COCCCS(=O)(=O)NCC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000377262323 1073816974 /nfs/dbraw/zinc/81/69/74/1073816974.db2.gz 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O=C(NCCCN1C(=O)CCC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377558991 1073860806 /nfs/dbraw/zinc/86/08/06/1073860806.db2.gz MNZYAMQGXDKITM-CQSZACIVSA-N 1 2 380.445 -1.178 20 0 GAADLO COCCn1nc(C(=O)N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)ccc1=O ZINC000377572920 1073860964 /nfs/dbraw/zinc/86/09/64/1073860964.db2.gz LSOOVLZCXSTODT-HNNXBMFYSA-N 1 2 379.461 -1.022 20 0 GAADLO COCCn1nc(C(=O)N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)ccc1=O ZINC000377572921 1073860885 /nfs/dbraw/zinc/86/08/85/1073860885.db2.gz LSOOVLZCXSTODT-OAHLLOKOSA-N 1 2 379.461 -1.022 20 0 GAADLO CCN1CCN(CC(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)C(=O)C1=O ZINC000377578355 1073860615 /nfs/dbraw/zinc/86/06/15/1073860615.db2.gz AGGAWDDWDNNDDN-UHFFFAOYSA-N 1 2 379.461 -1.381 20 0 GAADLO NC(=O)C1([NH+]2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)CCCC1 ZINC000377583795 1073861372 /nfs/dbraw/zinc/86/13/72/1073861372.db2.gz PBRXUZHLACIDNL-UHFFFAOYSA-N 1 2 387.506 -1.156 20 0 GAADLO NS(=O)(=O)N1CCC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000377594725 530106721 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CC1(C)NC(=O)N(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000377750465 1073863843 /nfs/dbraw/zinc/86/38/43/1073863843.db2.gz YHHBIWPYNOLQPZ-LBPRGKRZSA-N 1 2 381.433 -1.634 20 0 GAADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000377762902 530106716 /nfs/dbraw/zinc/10/67/16/530106716.db2.gz OBUDBFRQWJWCCI-UHFFFAOYSA-N 1 2 394.523 -1.488 20 0 GAADLO CN(C)S(=O)(=O)N1CCC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000377762902 530106714 /nfs/dbraw/zinc/10/67/14/530106714.db2.gz OBUDBFRQWJWCCI-UHFFFAOYSA-N 1 2 394.523 -1.488 20 0 GAADLO CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000377764666 530106686 /nfs/dbraw/zinc/10/66/86/530106686.db2.gz IITONZZHCNHHTD-UHFFFAOYSA-N 1 2 398.551 -1.147 20 0 GAADLO COCCCS(=O)(=O)NCC[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377769453 530106549 /nfs/dbraw/zinc/10/65/49/530106549.db2.gz AXHCRRBPUDTDRC-UHFFFAOYSA-N 1 2 386.540 -1.244 20 0 GAADLO COCCCS(=O)(=O)NCC[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377769453 530106546 /nfs/dbraw/zinc/10/65/46/530106546.db2.gz AXHCRRBPUDTDRC-UHFFFAOYSA-N 1 2 386.540 -1.244 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 ZINC000377786978 1073863973 /nfs/dbraw/zinc/86/39/73/1073863973.db2.gz YSFRXAKJZCKZFO-UHFFFAOYSA-N 1 2 387.462 -1.150 20 0 GAADLO CCN1CCN(CC(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)C(=O)C1=O ZINC000377825148 1073864455 /nfs/dbraw/zinc/86/44/55/1073864455.db2.gz ZNOVQOZLSUCZSQ-AWEZNQCLSA-N 1 2 379.461 -1.510 20 0 GAADLO CCN1CCN(CC(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)C(=O)C1=O ZINC000377825149 1073864468 /nfs/dbraw/zinc/86/44/68/1073864468.db2.gz ZNOVQOZLSUCZSQ-CQSZACIVSA-N 1 2 379.461 -1.510 20 0 GAADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000377849803 530106595 /nfs/dbraw/zinc/10/65/95/530106595.db2.gz AKVRGWXXQFHFNO-ZIAGYGMSSA-N 1 2 396.535 -1.397 20 0 GAADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CCN2C1=O ZINC000378017293 1073867692 /nfs/dbraw/zinc/86/76/92/1073867692.db2.gz 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1073873417 /nfs/dbraw/zinc/87/34/17/1073873417.db2.gz XOFJFNCXYPIJCN-JGGQBBKZSA-N 1 2 382.461 -1.689 20 0 GAADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378547332 1073873260 /nfs/dbraw/zinc/87/32/60/1073873260.db2.gz XOFJFNCXYPIJCN-NOLJZWGESA-N 1 2 382.461 -1.689 20 0 GAADLO CC(=O)NCCNC(=O)CCC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378558434 1073873498 /nfs/dbraw/zinc/87/34/98/1073873498.db2.gz HRYGMJVVNFOOJM-UHFFFAOYSA-N 1 2 381.477 -1.216 20 0 GAADLO CC(=O)NCCNC(=O)CCC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378558434 1073873487 /nfs/dbraw/zinc/87/34/87/1073873487.db2.gz HRYGMJVVNFOOJM-UHFFFAOYSA-N 1 2 381.477 -1.216 20 0 GAADLO O=C(NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccn[nH]1 ZINC000378572987 1073873372 /nfs/dbraw/zinc/87/33/72/1073873372.db2.gz QFHJSALOGGGKCF-CYBMUJFWSA-N 1 2 378.433 -1.564 20 0 GAADLO O=C(NCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccn[nH]1 ZINC000378572988 1073873233 /nfs/dbraw/zinc/87/32/33/1073873233.db2.gz 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CCOCCS(=O)(=O)NCC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378592875 1073873940 /nfs/dbraw/zinc/87/39/40/1073873940.db2.gz USDWBXOUPAPHEA-UHFFFAOYSA-N 1 2 390.506 -1.293 20 0 GAADLO CNC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000378618877 1073874393 /nfs/dbraw/zinc/87/43/93/1073874393.db2.gz HKLWLCVBLLEOIV-AWEZNQCLSA-N 1 2 377.449 -1.245 20 0 GAADLO CNC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000378618878 1073874710 /nfs/dbraw/zinc/87/47/10/1073874710.db2.gz HKLWLCVBLLEOIV-CQSZACIVSA-N 1 2 377.449 -1.245 20 0 GAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000407955896 530082113 /nfs/dbraw/zinc/08/21/13/530082113.db2.gz SNRQKLDDIXRGLJ-CYBMUJFWSA-N 1 2 376.479 -1.731 20 0 GAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000407955900 530082193 /nfs/dbraw/zinc/08/21/93/530082193.db2.gz SNRQKLDDIXRGLJ-ZDUSSCGKSA-N 1 2 376.479 -1.731 20 0 GAADLO CNS(=O)(=O)NCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000407997890 530083227 /nfs/dbraw/zinc/08/32/27/530083227.db2.gz POHWDGUBJCNMRV-CYBMUJFWSA-N 1 2 375.495 -1.415 20 0 GAADLO CNS(=O)(=O)NCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000407997892 530083093 /nfs/dbraw/zinc/08/30/93/530083093.db2.gz POHWDGUBJCNMRV-ZDUSSCGKSA-N 1 2 375.495 -1.415 20 0 GAADLO CCCC(=O)NCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408009816 530083284 /nfs/dbraw/zinc/08/32/84/530083284.db2.gz RTCRVFQLJMACMR-UHFFFAOYSA-N 1 2 375.495 -1.461 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CSCC(N)=O)CC2)CC1 ZINC000408040498 530083877 /nfs/dbraw/zinc/08/38/77/530083877.db2.gz BKBCWUILRLGLRP-UHFFFAOYSA-N 1 2 379.508 -2.159 20 0 GAADLO COC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408060853 1073866506 /nfs/dbraw/zinc/86/65/06/1073866506.db2.gz HFTKMQDVWWPULG-KBPBESRZSA-N 1 2 388.490 -1.178 20 0 GAADLO COC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408060854 1073866571 /nfs/dbraw/zinc/86/65/71/1073866571.db2.gz HFTKMQDVWWPULG-KGLIPLIRSA-N 1 2 388.490 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O=C(C(=O)N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)N1CCOCC1 ZINC000408134767 1073895409 /nfs/dbraw/zinc/89/54/09/1073895409.db2.gz VMPBTFRCFQPODJ-CQSZACIVSA-N 1 2 375.429 -1.025 20 0 GAADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC000408240720 530090054 /nfs/dbraw/zinc/09/00/54/530090054.db2.gz FIUXGBQJHZXWQJ-AWEZNQCLSA-N 1 2 375.495 -1.368 20 0 GAADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000408240721 530090107 /nfs/dbraw/zinc/09/01/07/530090107.db2.gz FIUXGBQJHZXWQJ-CQSZACIVSA-N 1 2 375.495 -1.368 20 0 GAADLO CO[C@H]1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)N(S(C)(=O)=O)C1 ZINC000408268077 530090226 /nfs/dbraw/zinc/09/02/26/530090226.db2.gz JARJPZLKQMJMIF-NWDGAFQWSA-N 1 2 376.479 -1.557 20 0 GAADLO CCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408281500 1073939565 /nfs/dbraw/zinc/93/95/65/1073939565.db2.gz VHMOVJNVSORYNN-CYBMUJFWSA-N 1 2 390.510 -1.540 20 0 GAADLO CSCC[C@@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408292598 530090528 /nfs/dbraw/zinc/09/05/28/530090528.db2.gz DIILVTKGDDGMPC-CYBMUJFWSA-N 1 2 380.536 -1.263 20 0 GAADLO CSCC[C@H](O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408292599 530090884 /nfs/dbraw/zinc/09/08/84/530090884.db2.gz DIILVTKGDDGMPC-ZDUSSCGKSA-N 1 2 380.536 -1.263 20 0 GAADLO C[C@@H](CC[NH+]1CCN(S(C)(=O)=O)CC1)N1CCN(S(C)(=O)=O)CC1 ZINC000408385128 530091651 /nfs/dbraw/zinc/09/16/51/530091651.db2.gz IPINIPHAQCBPMD-AWEZNQCLSA-N 1 2 382.552 -1.081 20 0 GAADLO C[C@@H](CCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000408385128 530091650 /nfs/dbraw/zinc/09/16/50/530091650.db2.gz IPINIPHAQCBPMD-AWEZNQCLSA-N 1 2 382.552 -1.081 20 0 GAADLO C[C@H](CC[NH+]1CCN(S(C)(=O)=O)CC1)N1CCN(S(C)(=O)=O)CC1 ZINC000408385131 530091798 /nfs/dbraw/zinc/09/17/98/530091798.db2.gz IPINIPHAQCBPMD-CQSZACIVSA-N 1 2 382.552 -1.081 20 0 GAADLO C[C@H](CCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000408385131 530091796 /nfs/dbraw/zinc/09/17/96/530091796.db2.gz IPINIPHAQCBPMD-CQSZACIVSA-N 1 2 382.552 -1.081 20 0 GAADLO CNC(=O)CCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000408404549 530092527 /nfs/dbraw/zinc/09/25/27/530092527.db2.gz GEXKMWBJLDCCED-UHFFFAOYSA-N 1 2 375.495 -1.461 20 0 GAADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000408410859 1073975379 /nfs/dbraw/zinc/97/53/79/1073975379.db2.gz AGWASCJLXWRTCK-UHFFFAOYSA-N 1 2 387.506 -1.415 20 0 GAADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[NH+](CCCO)CC2)CC1 ZINC000408422689 530092443 /nfs/dbraw/zinc/09/24/43/530092443.db2.gz TWNIQDJNEAQUEU-UHFFFAOYSA-N 1 2 383.536 -1.012 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cn1 ZINC000409448241 530076089 /nfs/dbraw/zinc/07/60/89/530076089.db2.gz AFQYHPIRYRDCPL-LLVKDONJSA-N 1 2 380.496 -1.797 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cn1 ZINC000409448241 530076086 /nfs/dbraw/zinc/07/60/86/530076086.db2.gz AFQYHPIRYRDCPL-LLVKDONJSA-N 1 2 380.496 -1.797 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cn1 ZINC000409448242 530076029 /nfs/dbraw/zinc/07/60/29/530076029.db2.gz AFQYHPIRYRDCPL-NSHDSACASA-N 1 2 380.496 -1.797 20 0 GAADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cn1 ZINC000409448242 530076026 /nfs/dbraw/zinc/07/60/26/530076026.db2.gz AFQYHPIRYRDCPL-NSHDSACASA-N 1 2 380.496 -1.797 20 0 GAADLO NS(=O)(=O)CCN1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000409631777 530076721 /nfs/dbraw/zinc/07/67/21/530076721.db2.gz QEMSNOUGMLCOOS-UHFFFAOYSA-N 1 2 375.495 -1.533 20 0 GAADLO CNc1nc(N2CCN(C3CC3)C(=O)C2)[nH+]c(N2CCN(C3CC3)C(=O)C2)n1 ZINC000409665495 1075637742 /nfs/dbraw/zinc/63/77/42/1075637742.db2.gz KSFKJNFNGRHUHH-UHFFFAOYSA-N 1 2 386.460 -1.043 20 0 GAADLO CNc1nc(N2CCN(C3CC3)C(=O)C2)nc(N2CCN(C3CC3)C(=O)C2)[nH+]1 ZINC000409665495 1075637739 /nfs/dbraw/zinc/63/77/39/1075637739.db2.gz KSFKJNFNGRHUHH-UHFFFAOYSA-N 1 2 386.460 -1.043 20 0 GAADLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(CCS(N)(=O)=O)CC2)CCO1 ZINC000410058530 530076567 /nfs/dbraw/zinc/07/65/67/530076567.db2.gz SMFNUYDQUAMHKA-UHFFFAOYSA-N 1 2 377.511 -1.287 20 0 GAADLO CC1(C)C[N@H+](CCNC(=O)N2CCN(CCS(N)(=O)=O)CC2)CCO1 ZINC000410058530 530076564 /nfs/dbraw/zinc/07/65/64/530076564.db2.gz SMFNUYDQUAMHKA-UHFFFAOYSA-N 1 2 377.511 -1.287 20 0 GAADLO NC(=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000410144311 1075639878 /nfs/dbraw/zinc/63/98/78/1075639878.db2.gz GQJDMAUHEXUSMJ-UHFFFAOYSA-N 1 2 384.462 -1.292 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000410442608 1075642630 /nfs/dbraw/zinc/64/26/30/1075642630.db2.gz GYBOASJXBOQYAV-KKUMJFAQSA-N 1 2 382.461 -1.593 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000410442611 1075642593 /nfs/dbraw/zinc/64/25/93/1075642593.db2.gz GYBOASJXBOQYAV-RRFJBIMHSA-N 1 2 382.461 -1.593 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000410442613 1075642585 /nfs/dbraw/zinc/64/25/85/1075642585.db2.gz GYBOASJXBOQYAV-SOUVJXGZSA-N 1 2 382.461 -1.593 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000410442617 1075642621 /nfs/dbraw/zinc/64/26/21/1075642621.db2.gz GYBOASJXBOQYAV-ZNMIVQPWSA-N 1 2 382.461 -1.593 20 0 GAADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)c1C ZINC000410442620 1075642528 /nfs/dbraw/zinc/64/25/28/1075642528.db2.gz GYGZTTKQZLWHEC-UHFFFAOYSA-N 1 2 391.428 -1.178 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000410472431 1075644577 /nfs/dbraw/zinc/64/45/77/1075644577.db2.gz HHIXTDFJJQWWNY-UHFFFAOYSA-N 1 2 378.477 -1.145 20 0 GAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000410476038 1075644178 /nfs/dbraw/zinc/64/41/78/1075644178.db2.gz OFWPJPWVLPEMDL-HNNXBMFYSA-N 1 2 378.477 -1.411 20 0 GAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000410476039 1075644043 /nfs/dbraw/zinc/64/40/43/1075644043.db2.gz OFWPJPWVLPEMDL-OAHLLOKOSA-N 1 2 378.477 -1.411 20 0 GAADLO NC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1=O 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COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CCN2CCOCC2)CC1 ZINC000414601829 1073810016 /nfs/dbraw/zinc/81/00/16/1073810016.db2.gz TVZOVQXTSPXDNV-UHFFFAOYSA-N 1 2 386.493 -1.417 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000414603449 1073810053 /nfs/dbraw/zinc/81/00/53/1073810053.db2.gz XTXDLVLWMBSQND-AWEZNQCLSA-N 1 2 384.477 -1.094 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)CC1 ZINC000414603450 1073809985 /nfs/dbraw/zinc/80/99/85/1073809985.db2.gz XTXDLVLWMBSQND-CQSZACIVSA-N 1 2 384.477 -1.094 20 0 GAADLO COC(=O)CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC000416368866 530099428 /nfs/dbraw/zinc/09/94/28/530099428.db2.gz HSVDSHYQSAQPTR-UHFFFAOYSA-N 1 2 385.508 -1.222 20 0 GAADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000416574188 530099608 /nfs/dbraw/zinc/09/96/08/530099608.db2.gz WPRIVDPRWCVEPH-UHFFFAOYSA-N 1 2 387.524 -1.466 20 0 GAADLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000416655852 530099358 /nfs/dbraw/zinc/09/93/58/530099358.db2.gz DQBJEMDNXMJIBW-CHWSQXEVSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000416655852 530099356 /nfs/dbraw/zinc/09/93/56/530099356.db2.gz DQBJEMDNXMJIBW-CHWSQXEVSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C[N@H+]1CCO ZINC000416655855 530099627 /nfs/dbraw/zinc/09/96/27/530099627.db2.gz DQBJEMDNXMJIBW-OLZOCXBDSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000416655855 530099626 /nfs/dbraw/zinc/09/96/26/530099626.db2.gz DQBJEMDNXMJIBW-OLZOCXBDSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000416655857 530099585 /nfs/dbraw/zinc/09/95/85/530099585.db2.gz DQBJEMDNXMJIBW-QWHCGFSZSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000416655857 530099583 /nfs/dbraw/zinc/09/95/83/530099583.db2.gz DQBJEMDNXMJIBW-QWHCGFSZSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000416655859 530099716 /nfs/dbraw/zinc/09/97/16/530099716.db2.gz DQBJEMDNXMJIBW-STQMWFEESA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000416655859 530099715 /nfs/dbraw/zinc/09/97/15/530099715.db2.gz DQBJEMDNXMJIBW-STQMWFEESA-N 1 2 384.524 -1.805 20 0 GAADLO COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000416659235 530099670 /nfs/dbraw/zinc/09/96/70/530099670.db2.gz LMSHAMAKXMEIJU-CYBMUJFWSA-N 1 2 377.463 -1.208 20 0 GAADLO COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000416659245 530099661 /nfs/dbraw/zinc/09/96/61/530099661.db2.gz LMSHAMAKXMEIJU-ZDUSSCGKSA-N 1 2 377.463 -1.208 20 0 GAADLO COC(=O)CNC(=O)[C@H]1CCCN1c1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000419030283 1073961169 /nfs/dbraw/zinc/96/11/69/1073961169.db2.gz SPYNOFNZBWWPIX-LLVKDONJSA-N 1 2 381.437 -1.802 20 0 GAADLO COC(=O)CNC(=O)[C@@H]1CCCN1c1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000419030291 1073961564 /nfs/dbraw/zinc/96/15/64/1073961564.db2.gz SPYNOFNZBWWPIX-NSHDSACASA-N 1 2 381.437 -1.802 20 0 GAADLO Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n[nH]1 ZINC000419134548 1073969405 /nfs/dbraw/zinc/96/94/05/1073969405.db2.gz IYRTVBRNYXHDMK-LLVKDONJSA-N 1 2 398.489 -1.789 20 0 GAADLO Cc1cc(C[C@H](C)NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n[nH]1 ZINC000419134556 1073969368 /nfs/dbraw/zinc/96/93/68/1073969368.db2.gz IYRTVBRNYXHDMK-NSHDSACASA-N 1 2 398.489 -1.789 20 0 GAADLO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000419170327 1073972406 /nfs/dbraw/zinc/97/24/06/1073972406.db2.gz HEPXMJWXAHUSQE-UHFFFAOYSA-N 1 2 398.489 -1.856 20 0 GAADLO COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000419347512 1073990936 /nfs/dbraw/zinc/99/09/36/1073990936.db2.gz QKYJLKGYIVOUGK-AWEZNQCLSA-N 1 2 384.477 -1.033 20 0 GAADLO COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000419347513 1073990953 /nfs/dbraw/zinc/99/09/53/1073990953.db2.gz QKYJLKGYIVOUGK-CQSZACIVSA-N 1 2 384.477 -1.033 20 0 GAADLO CC[C@@H](CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000420648125 530110676 /nfs/dbraw/zinc/11/06/76/530110676.db2.gz BMHFCJHKVORLHL-AWEZNQCLSA-N 1 2 398.551 -1.149 20 0 GAADLO CC[C@H](CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000420648129 530110524 /nfs/dbraw/zinc/11/05/24/530110524.db2.gz BMHFCJHKVORLHL-CQSZACIVSA-N 1 2 398.551 -1.149 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000421706531 1074028335 /nfs/dbraw/zinc/02/83/35/1074028335.db2.gz PNHRAQQTFVYPEU-PBHICJAKSA-N 1 2 394.447 -1.125 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000421706532 1074028647 /nfs/dbraw/zinc/02/86/47/1074028647.db2.gz PNHRAQQTFVYPEU-RHSMWYFYSA-N 1 2 394.447 -1.125 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000421706533 1074028703 /nfs/dbraw/zinc/02/87/03/1074028703.db2.gz PNHRAQQTFVYPEU-WMLDXEAASA-N 1 2 394.447 -1.125 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000421706534 1074028611 /nfs/dbraw/zinc/02/86/11/1074028611.db2.gz PNHRAQQTFVYPEU-YOEHRIQHSA-N 1 2 394.447 -1.125 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000422120148 1074030863 /nfs/dbraw/zinc/03/08/63/1074030863.db2.gz UAODJJKYLSKLFM-HNNXBMFYSA-N 1 2 387.477 -1.210 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000422120149 1074031214 /nfs/dbraw/zinc/03/12/14/1074031214.db2.gz UAODJJKYLSKLFM-OAHLLOKOSA-N 1 2 387.477 -1.210 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCC2=O)CC1 ZINC000422271442 1074039143 /nfs/dbraw/zinc/03/91/43/1074039143.db2.gz QOHIDBCTZOFCOP-AWEZNQCLSA-N 1 2 384.477 -1.081 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCC2=O)CC1 ZINC000422271444 1074039006 /nfs/dbraw/zinc/03/90/06/1074039006.db2.gz QOHIDBCTZOFCOP-CQSZACIVSA-N 1 2 384.477 -1.081 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(C(C)C)C2=O)CC1 ZINC000422325244 1074039647 /nfs/dbraw/zinc/03/96/47/1074039647.db2.gz JSLUEBULWARLPT-HNNXBMFYSA-N 1 2 384.477 -1.083 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000422325245 1074039810 /nfs/dbraw/zinc/03/98/10/1074039810.db2.gz JSLUEBULWARLPT-OAHLLOKOSA-N 1 2 384.477 -1.083 20 0 GAADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422412951 1074040101 /nfs/dbraw/zinc/04/01/01/1074040101.db2.gz JQLHMWVOFPOSCW-CABCVRRESA-N 1 2 384.477 -1.177 20 0 GAADLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422412952 1074040255 /nfs/dbraw/zinc/04/02/55/1074040255.db2.gz JQLHMWVOFPOSCW-GJZGRUSLSA-N 1 2 384.477 -1.177 20 0 GAADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422412953 1074040280 /nfs/dbraw/zinc/04/02/80/1074040280.db2.gz JQLHMWVOFPOSCW-HUUCEWRRSA-N 1 2 384.477 -1.177 20 0 GAADLO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000422412954 1074040031 /nfs/dbraw/zinc/04/00/31/1074040031.db2.gz JQLHMWVOFPOSCW-LSDHHAIUSA-N 1 2 384.477 -1.177 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000422430873 1074040212 /nfs/dbraw/zinc/04/02/12/1074040212.db2.gz JXTAJHLGYYNECV-UHFFFAOYSA-N 1 2 398.504 -1.227 20 0 GAADLO CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H](CO)O1 ZINC000422469480 1074040554 /nfs/dbraw/zinc/04/05/54/1074040554.db2.gz DDUJLKDLAGEMIS-HNNXBMFYSA-N 1 2 399.488 -1.018 20 0 GAADLO CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H](CO)O1 ZINC000422469481 1074040595 /nfs/dbraw/zinc/04/05/95/1074040595.db2.gz DDUJLKDLAGEMIS-OAHLLOKOSA-N 1 2 399.488 -1.018 20 0 GAADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000422473461 1074040771 /nfs/dbraw/zinc/04/07/71/1074040771.db2.gz NTFXTBDMMRPAJM-UHFFFAOYSA-N 1 2 394.472 -1.183 20 0 GAADLO CCN1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1=O ZINC000422477803 1074040722 /nfs/dbraw/zinc/04/07/22/1074040722.db2.gz YVKJULRWCQCYOD-UHFFFAOYSA-N 1 2 382.461 -1.325 20 0 GAADLO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424514658 530113968 /nfs/dbraw/zinc/11/39/68/530113968.db2.gz AYYQWTXJXPNEFD-JTQLQIEISA-N 1 2 385.437 -1.704 20 0 GAADLO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424514661 530114059 /nfs/dbraw/zinc/11/40/59/530114059.db2.gz AYYQWTXJXPNEFD-SNVBAGLBSA-N 1 2 385.437 -1.704 20 0 GAADLO COC(=O)CCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1=O ZINC000424526832 1074067030 /nfs/dbraw/zinc/06/70/30/1074067030.db2.gz SJGFSZUOEJIXRZ-GHMZBOCLSA-N 1 2 390.387 -1.372 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1=O ZINC000424526835 1074067075 /nfs/dbraw/zinc/06/70/75/1074067075.db2.gz SJGFSZUOEJIXRZ-MNOVXSKESA-N 1 2 390.387 -1.372 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1=O ZINC000424526837 1074066934 /nfs/dbraw/zinc/06/69/34/1074066934.db2.gz 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ZINC000430779525 1073573119 /nfs/dbraw/zinc/57/31/19/1073573119.db2.gz CTZPHTOVVHOFIV-IJLUTSLNSA-N 1 2 392.403 -1.093 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)CCO1 ZINC000430779525 1073573102 /nfs/dbraw/zinc/57/31/02/1073573102.db2.gz CTZPHTOVVHOFIV-IJLUTSLNSA-N 1 2 392.403 -1.093 20 0 GAADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)CCO1 ZINC000430779526 1073573376 /nfs/dbraw/zinc/57/33/76/1073573376.db2.gz CTZPHTOVVHOFIV-QJPTWQEYSA-N 1 2 392.403 -1.093 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)CCO1 ZINC000430779526 1073573367 /nfs/dbraw/zinc/57/33/67/1073573367.db2.gz CTZPHTOVVHOFIV-QJPTWQEYSA-N 1 2 392.403 -1.093 20 0 GAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000430923517 1073574424 /nfs/dbraw/zinc/57/44/24/1073574424.db2.gz FSJAPCLDWOWYAW-UHFFFAOYSA-N 1 2 384.444 -1.262 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000430929889 1073574470 /nfs/dbraw/zinc/57/44/70/1073574470.db2.gz WXDAMXKMLRXWJQ-CYBMUJFWSA-N 1 2 399.459 -1.279 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000430929890 1073574329 /nfs/dbraw/zinc/57/43/29/1073574329.db2.gz WXDAMXKMLRXWJQ-ZDUSSCGKSA-N 1 2 399.459 -1.279 20 0 GAADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)CN3CC[NH2+]CC3=O)c2)CC1 ZINC000431035390 1073576588 /nfs/dbraw/zinc/57/65/88/1073576588.db2.gz ALFWKJDTSZQMLA-UHFFFAOYSA-N 1 2 395.485 -1.007 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1)N1CCOCC1 ZINC000431104357 1073577642 /nfs/dbraw/zinc/57/76/42/1073577642.db2.gz FXKGINPQIOQETB-GFCCVEGCSA-N 1 2 383.367 -1.071 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1)N1CCOCC1 ZINC000431104358 1073577842 /nfs/dbraw/zinc/57/78/42/1073577842.db2.gz FXKGINPQIOQETB-LBPRGKRZSA-N 1 2 383.367 -1.071 20 0 GAADLO CN1CCO[C@@H]2C[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C[C@H]21 ZINC000431123055 1074827145 /nfs/dbraw/zinc/82/71/45/1074827145.db2.gz WZVKCOOYOHSOFF-IAGOWNOFSA-N 1 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CC(C)(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000431126730 1073938329 /nfs/dbraw/zinc/93/83/29/1073938329.db2.gz HGANEFRBFORFDQ-UHFFFAOYSA-N 1 2 383.493 -1.425 20 0 GAADLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000431126730 1073938322 /nfs/dbraw/zinc/93/83/22/1073938322.db2.gz HGANEFRBFORFDQ-UHFFFAOYSA-N 1 2 383.493 -1.425 20 0 GAADLO COCCCS(=O)(=O)N1CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000431167944 530118189 /nfs/dbraw/zinc/11/81/89/530118189.db2.gz GHNBQIGJLDKTHK-UHFFFAOYSA-N 1 2 379.479 -1.008 20 0 GAADLO Cn1cc[nH+]c1[C@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)CCN1C ZINC000431638488 530118049 /nfs/dbraw/zinc/11/80/49/530118049.db2.gz KPJJGBRHVMVNRP-GFCCVEGCSA-N 1 2 377.492 -1.316 20 0 GAADLO Cn1cc[nH+]c1[C@@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)CCN1C ZINC000431638490 530118078 /nfs/dbraw/zinc/11/80/78/530118078.db2.gz KPJJGBRHVMVNRP-LBPRGKRZSA-N 1 2 377.492 -1.316 20 0 GAADLO COCCCS(=O)(=O)NCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000431927485 1074880292 /nfs/dbraw/zinc/88/02/92/1074880292.db2.gz SBLPMUVDZAJZBV-UHFFFAOYSA-N 1 2 389.478 -0.890 20 0 GAADLO CNC(=O)NCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000432001871 1073887407 /nfs/dbraw/zinc/88/74/07/1073887407.db2.gz ZVQNNDUTXZYIKP-UHFFFAOYSA-N 1 2 398.489 -1.031 20 0 GAADLO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000433163475 530118631 /nfs/dbraw/zinc/11/86/31/530118631.db2.gz OXCNNDLSSOTEKG-CYBMUJFWSA-N 1 2 378.495 -1.485 20 0 GAADLO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000433163476 530118933 /nfs/dbraw/zinc/11/89/33/530118933.db2.gz OXCNNDLSSOTEKG-ZDUSSCGKSA-N 1 2 378.495 -1.485 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000433350140 530118849 /nfs/dbraw/zinc/11/88/49/530118849.db2.gz BBTNTCDZHNPVFW-OKILXGFUSA-N 1 2 398.551 -1.151 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000433350140 530118848 /nfs/dbraw/zinc/11/88/48/530118848.db2.gz BBTNTCDZHNPVFW-OKILXGFUSA-N 1 2 398.551 -1.151 20 0 GAADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000433353567 530118925 /nfs/dbraw/zinc/11/89/25/530118925.db2.gz PRYCZLLDJHKVDH-CHWSQXEVSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000433353567 530118921 /nfs/dbraw/zinc/11/89/21/530118921.db2.gz PRYCZLLDJHKVDH-CHWSQXEVSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000433353568 530119091 /nfs/dbraw/zinc/11/90/91/530119091.db2.gz PRYCZLLDJHKVDH-OLZOCXBDSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000433353568 530119087 /nfs/dbraw/zinc/11/90/87/530119087.db2.gz PRYCZLLDJHKVDH-OLZOCXBDSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000433353569 530118675 /nfs/dbraw/zinc/11/86/75/530118675.db2.gz PRYCZLLDJHKVDH-QWHCGFSZSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000433353569 530118673 /nfs/dbraw/zinc/11/86/73/530118673.db2.gz PRYCZLLDJHKVDH-QWHCGFSZSA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000433353570 530119082 /nfs/dbraw/zinc/11/90/82/530119082.db2.gz PRYCZLLDJHKVDH-STQMWFEESA-N 1 2 384.524 -1.805 20 0 GAADLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000433353570 530119079 /nfs/dbraw/zinc/11/90/79/530119079.db2.gz PRYCZLLDJHKVDH-STQMWFEESA-N 1 2 384.524 -1.805 20 0 GAADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000433364635 530118806 /nfs/dbraw/zinc/11/88/06/530118806.db2.gz NQPQPPSFRXXZTA-UHFFFAOYSA-N 1 2 398.551 -1.149 20 0 GAADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000433364635 530118803 /nfs/dbraw/zinc/11/88/03/530118803.db2.gz NQPQPPSFRXXZTA-UHFFFAOYSA-N 1 2 398.551 -1.149 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000433368681 530118588 /nfs/dbraw/zinc/11/85/88/530118588.db2.gz YHSCKVJGPXSMFU-CYBMUJFWSA-N 1 2 384.524 -1.539 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000433368684 530118749 /nfs/dbraw/zinc/11/87/49/530118749.db2.gz YHSCKVJGPXSMFU-ZDUSSCGKSA-N 1 2 384.524 -1.539 20 0 GAADLO CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000433684688 1073999035 /nfs/dbraw/zinc/99/90/35/1073999035.db2.gz SCDPHTONRBRYDW-HNNXBMFYSA-N 1 2 397.476 -0.602 20 0 GAADLO CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000433684690 1073998822 /nfs/dbraw/zinc/99/88/22/1073998822.db2.gz SCDPHTONRBRYDW-OAHLLOKOSA-N 1 2 397.476 -0.602 20 0 GAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000433797263 1074000047 /nfs/dbraw/zinc/00/00/47/1074000047.db2.gz UXVWYHBDDDANHO-UHFFFAOYSA-N 1 2 388.432 -1.220 20 0 GAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434385311 1074068653 /nfs/dbraw/zinc/06/86/53/1074068653.db2.gz PFDLYFWENYZRLX-UHFFFAOYSA-N 1 2 390.506 -1.199 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000434545237 530119304 /nfs/dbraw/zinc/11/93/04/530119304.db2.gz UJXIQPAMBBEUKW-AWEZNQCLSA-N 1 2 380.536 -1.469 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000434545238 530119450 /nfs/dbraw/zinc/11/94/50/530119450.db2.gz UJXIQPAMBBEUKW-CQSZACIVSA-N 1 2 380.536 -1.469 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000434564495 1074070580 /nfs/dbraw/zinc/07/05/80/1074070580.db2.gz GERBJANLMSPQFY-CALCHBBNSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)CC1 ZINC000434564496 1074070564 /nfs/dbraw/zinc/07/05/64/1074070564.db2.gz GERBJANLMSPQFY-IAGOWNOFSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)CC1 ZINC000434564497 1074070792 /nfs/dbraw/zinc/07/07/92/1074070792.db2.gz GERBJANLMSPQFY-IRXDYDNUSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000434580154 1074071194 /nfs/dbraw/zinc/07/11/94/1074071194.db2.gz GKZZBAUEWXMYOI-CALCHBBNSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC000434580155 1074071100 /nfs/dbraw/zinc/07/11/00/1074071100.db2.gz GKZZBAUEWXMYOI-IAGOWNOFSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)cc2)CC1 ZINC000434580156 1074071275 /nfs/dbraw/zinc/07/12/75/1074071275.db2.gz GKZZBAUEWXMYOI-IRXDYDNUSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@@H](O)C3)c2)CC1 ZINC000434583220 1074071176 /nfs/dbraw/zinc/07/11/76/1074071176.db2.gz CWJXPUFAWNQGJA-CALCHBBNSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)c2)CC1 ZINC000434583225 1074071231 /nfs/dbraw/zinc/07/12/31/1074071231.db2.gz CWJXPUFAWNQGJA-IAGOWNOFSA-N 1 2 390.440 -1.147 20 0 GAADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c2)CC1 ZINC000434583226 1074071296 /nfs/dbraw/zinc/07/12/96/1074071296.db2.gz CWJXPUFAWNQGJA-IRXDYDNUSA-N 1 2 390.440 -1.147 20 0 GAADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434654078 530119774 /nfs/dbraw/zinc/11/97/74/530119774.db2.gz NPBDUNOIRQEVGB-OBJOEFQTSA-N 1 2 378.495 -1.405 20 0 GAADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000434654078 530119773 /nfs/dbraw/zinc/11/97/73/530119773.db2.gz NPBDUNOIRQEVGB-OBJOEFQTSA-N 1 2 378.495 -1.405 20 0 GAADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434654079 530119806 /nfs/dbraw/zinc/11/98/06/530119806.db2.gz NPBDUNOIRQEVGB-OUCADQQQSA-N 1 2 378.495 -1.405 20 0 GAADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000434654079 530119804 /nfs/dbraw/zinc/11/98/04/530119804.db2.gz NPBDUNOIRQEVGB-OUCADQQQSA-N 1 2 378.495 -1.405 20 0 GAADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434654080 530119313 /nfs/dbraw/zinc/11/93/13/530119313.db2.gz NPBDUNOIRQEVGB-SCRDCRAPSA-N 1 2 378.495 -1.405 20 0 GAADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000434654080 530119311 /nfs/dbraw/zinc/11/93/11/530119311.db2.gz NPBDUNOIRQEVGB-SCRDCRAPSA-N 1 2 378.495 -1.405 20 0 GAADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434654081 530119903 /nfs/dbraw/zinc/11/99/03/530119903.db2.gz NPBDUNOIRQEVGB-SGMGOOAPSA-N 1 2 378.495 -1.405 20 0 GAADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000434654081 530119899 /nfs/dbraw/zinc/11/98/99/530119899.db2.gz NPBDUNOIRQEVGB-SGMGOOAPSA-N 1 2 378.495 -1.405 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434655193 1074072081 /nfs/dbraw/zinc/07/20/81/1074072081.db2.gz SJXYKXICYOIVHI-KBPBESRZSA-N 1 2 398.485 -1.002 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000434655193 1074072072 /nfs/dbraw/zinc/07/20/72/1074072072.db2.gz SJXYKXICYOIVHI-KBPBESRZSA-N 1 2 398.485 -1.002 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000434655194 1074072047 /nfs/dbraw/zinc/07/20/47/1074072047.db2.gz SJXYKXICYOIVHI-UONOGXRCSA-N 1 2 398.485 -1.002 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000434655194 1074072040 /nfs/dbraw/zinc/07/20/40/1074072040.db2.gz SJXYKXICYOIVHI-UONOGXRCSA-N 1 2 398.485 -1.002 20 0 GAADLO CCCn1c(N)c(C(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000434675070 1074072126 /nfs/dbraw/zinc/07/21/26/1074072126.db2.gz KRTNYTZJRWAVJX-UHFFFAOYSA-N 1 2 380.449 -1.170 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)N(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000434711251 530119649 /nfs/dbraw/zinc/11/96/49/530119649.db2.gz NHODSMRQCAPGPK-CHWSQXEVSA-N 1 2 376.479 -1.348 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)N(C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000434711252 530119680 /nfs/dbraw/zinc/11/96/80/530119680.db2.gz NHODSMRQCAPGPK-OLZOCXBDSA-N 1 2 376.479 -1.348 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000434711253 530119283 /nfs/dbraw/zinc/11/92/83/530119283.db2.gz NHODSMRQCAPGPK-QWHCGFSZSA-N 1 2 376.479 -1.348 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000434711254 530119273 /nfs/dbraw/zinc/11/92/73/530119273.db2.gz NHODSMRQCAPGPK-STQMWFEESA-N 1 2 376.479 -1.348 20 0 GAADLO CN(C)C(=O)CN1CCN(C(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000434977612 1074074969 /nfs/dbraw/zinc/07/49/69/1074074969.db2.gz QYHWCQSPGOPQDP-INIZCTEOSA-N 1 2 385.509 -2.156 20 0 GAADLO CN(C)C(=O)CN1CCN(C(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000434977613 1074074914 /nfs/dbraw/zinc/07/49/14/1074074914.db2.gz QYHWCQSPGOPQDP-MRXNPFEDSA-N 1 2 385.509 -2.156 20 0 GAADLO CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](O)C[NH+]1CCOCC1 ZINC000434978428 530119871 /nfs/dbraw/zinc/11/98/71/530119871.db2.gz NMFFJIDNDRGOEM-AWEZNQCLSA-N 1 2 380.511 -1.991 20 0 GAADLO CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434978429 530119768 /nfs/dbraw/zinc/11/97/68/530119768.db2.gz NMFFJIDNDRGOEM-CQSZACIVSA-N 1 2 380.511 -1.991 20 0 GAADLO CCCn1c(N)c(C(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434986241 1074074831 /nfs/dbraw/zinc/07/48/31/1074074831.db2.gz FWOQSRMYBQMGQG-GFCCVEGCSA-N 1 2 383.449 -1.251 20 0 GAADLO CCCn1c(N)c(C(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434986241 1074074829 /nfs/dbraw/zinc/07/48/29/1074074829.db2.gz FWOQSRMYBQMGQG-GFCCVEGCSA-N 1 2 383.449 -1.251 20 0 GAADLO CCCn1c(N)c(C(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434986242 1074075065 /nfs/dbraw/zinc/07/50/65/1074075065.db2.gz FWOQSRMYBQMGQG-LBPRGKRZSA-N 1 2 383.449 -1.251 20 0 GAADLO CCCn1c(N)c(C(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434986242 1074075055 /nfs/dbraw/zinc/07/50/55/1074075055.db2.gz FWOQSRMYBQMGQG-LBPRGKRZSA-N 1 2 383.449 -1.251 20 0 GAADLO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H](O)CN1CCOCC1 ZINC000434993395 1074074823 /nfs/dbraw/zinc/07/48/23/1074074823.db2.gz YONFHSMBYCXTMN-AWEZNQCLSA-N 1 2 386.474 -1.103 20 0 GAADLO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H](O)CN1CCOCC1 ZINC000434993395 1074074821 /nfs/dbraw/zinc/07/48/21/1074074821.db2.gz YONFHSMBYCXTMN-AWEZNQCLSA-N 1 2 386.474 -1.103 20 0 GAADLO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](O)CN1CCOCC1 ZINC000434993396 1074074883 /nfs/dbraw/zinc/07/48/83/1074074883.db2.gz YONFHSMBYCXTMN-CQSZACIVSA-N 1 2 386.474 -1.103 20 0 GAADLO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](O)CN1CCOCC1 ZINC000434993396 1074074877 /nfs/dbraw/zinc/07/48/77/1074074877.db2.gz YONFHSMBYCXTMN-CQSZACIVSA-N 1 2 386.474 -1.103 20 0 GAADLO COCCn1c(N)c(C(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434993923 1074075151 /nfs/dbraw/zinc/07/51/51/1074075151.db2.gz FJURGGANWHETTI-GFCCVEGCSA-N 1 2 399.448 -2.015 20 0 GAADLO COCCn1c(N)c(C(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434993923 1074075140 /nfs/dbraw/zinc/07/51/40/1074075140.db2.gz FJURGGANWHETTI-GFCCVEGCSA-N 1 2 399.448 -2.015 20 0 GAADLO COCCn1c(N)c(C(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434993924 1074075700 /nfs/dbraw/zinc/07/57/00/1074075700.db2.gz FJURGGANWHETTI-LBPRGKRZSA-N 1 2 399.448 -2.015 20 0 GAADLO COCCn1c(N)c(C(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)c(=O)[nH]c1=O ZINC000434993924 1074075691 /nfs/dbraw/zinc/07/56/91/1074075691.db2.gz FJURGGANWHETTI-LBPRGKRZSA-N 1 2 399.448 -2.015 20 0 GAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CCO1 ZINC000434996515 1074075482 /nfs/dbraw/zinc/07/54/82/1074075482.db2.gz NZEIVFSGQPCUOB-GFCCVEGCSA-N 1 2 379.421 -1.966 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CCO1 ZINC000434996515 1074075472 /nfs/dbraw/zinc/07/54/72/1074075472.db2.gz NZEIVFSGQPCUOB-GFCCVEGCSA-N 1 2 379.421 -1.966 20 0 GAADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CCO1 ZINC000434996516 1074075599 /nfs/dbraw/zinc/07/55/99/1074075599.db2.gz NZEIVFSGQPCUOB-LBPRGKRZSA-N 1 2 379.421 -1.966 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCNC(=O)c2cnccn2)CCO1 ZINC000434996516 1074075591 /nfs/dbraw/zinc/07/55/91/1074075591.db2.gz NZEIVFSGQPCUOB-LBPRGKRZSA-N 1 2 379.421 -1.966 20 0 GAADLO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H](O)CN1CCOCC1 ZINC000435003670 1074075666 /nfs/dbraw/zinc/07/56/66/1074075666.db2.gz NOAOTOSEHQRUHE-AWEZNQCLSA-N 1 2 386.474 -1.103 20 0 GAADLO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H](O)CN1CCOCC1 ZINC000435003670 1074075662 /nfs/dbraw/zinc/07/56/62/1074075662.db2.gz NOAOTOSEHQRUHE-AWEZNQCLSA-N 1 2 386.474 -1.103 20 0 GAADLO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)CN1CCOCC1 ZINC000435003671 1074075732 /nfs/dbraw/zinc/07/57/32/1074075732.db2.gz NOAOTOSEHQRUHE-CQSZACIVSA-N 1 2 386.474 -1.103 20 0 GAADLO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)CN1CCOCC1 ZINC000435003671 1074075726 /nfs/dbraw/zinc/07/57/26/1074075726.db2.gz NOAOTOSEHQRUHE-CQSZACIVSA-N 1 2 386.474 -1.103 20 0 GAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC000435143621 1074874652 /nfs/dbraw/zinc/87/46/52/1074874652.db2.gz SZHLJUPKBQPGPO-UHFFFAOYSA-N 1 2 394.476 -0.555 20 0 GAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC000435143621 1074874649 /nfs/dbraw/zinc/87/46/49/1074874649.db2.gz SZHLJUPKBQPGPO-UHFFFAOYSA-N 1 2 394.476 -0.555 20 0 GAADLO CCN(CC)S(=O)(=O)CCNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435153015 1074077112 /nfs/dbraw/zinc/07/71/12/1074077112.db2.gz ZLAJJYAJZUJZEC-CYBMUJFWSA-N 1 2 393.510 -1.515 20 0 GAADLO CCN(CC)S(=O)(=O)CCNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000435153015 1074077099 /nfs/dbraw/zinc/07/70/99/1074077099.db2.gz ZLAJJYAJZUJZEC-CYBMUJFWSA-N 1 2 393.510 -1.515 20 0 GAADLO CCN(CC)S(=O)(=O)CCNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435153016 1074076842 /nfs/dbraw/zinc/07/68/42/1074076842.db2.gz ZLAJJYAJZUJZEC-ZDUSSCGKSA-N 1 2 393.510 -1.515 20 0 GAADLO CCN(CC)S(=O)(=O)CCNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000435153016 1074076835 /nfs/dbraw/zinc/07/68/35/1074076835.db2.gz ZLAJJYAJZUJZEC-ZDUSSCGKSA-N 1 2 393.510 -1.515 20 0 GAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000435159129 1074874699 /nfs/dbraw/zinc/87/46/99/1074874699.db2.gz PHYKODBTQLDGSV-OKILXGFUSA-N 1 2 394.476 -0.556 20 0 GAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000435159129 1074874695 /nfs/dbraw/zinc/87/46/95/1074874695.db2.gz PHYKODBTQLDGSV-OKILXGFUSA-N 1 2 394.476 -0.556 20 0 GAADLO CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000435173869 1074077911 /nfs/dbraw/zinc/07/79/11/1074077911.db2.gz PBUXOPWDOWNTLI-INIZCTEOSA-N 1 2 396.492 -0.628 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000435173869 1074077909 /nfs/dbraw/zinc/07/79/09/1074077909.db2.gz PBUXOPWDOWNTLI-INIZCTEOSA-N 1 2 396.492 -0.628 20 0 GAADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000435173870 1074078036 /nfs/dbraw/zinc/07/80/36/1074078036.db2.gz PBUXOPWDOWNTLI-MRXNPFEDSA-N 1 2 396.492 -0.628 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000435173870 1074078031 /nfs/dbraw/zinc/07/80/31/1074078031.db2.gz PBUXOPWDOWNTLI-MRXNPFEDSA-N 1 2 396.492 -0.628 20 0 GAADLO CNS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000435227985 530119279 /nfs/dbraw/zinc/11/92/79/530119279.db2.gz WUSBEPFJWWYEFB-UHFFFAOYSA-N 1 2 383.496 -2.828 20 0 GAADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000435270769 1074078405 /nfs/dbraw/zinc/07/84/05/1074078405.db2.gz LTWDRBQTWDYJNB-CHWSQXEVSA-N 1 2 399.448 -2.022 20 0 GAADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000435270769 1074078394 /nfs/dbraw/zinc/07/83/94/1074078394.db2.gz LTWDRBQTWDYJNB-CHWSQXEVSA-N 1 2 399.448 -2.022 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000435270773 1074078540 /nfs/dbraw/zinc/07/85/40/1074078540.db2.gz LTWDRBQTWDYJNB-OLZOCXBDSA-N 1 2 399.448 -2.022 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000435270773 1074078531 /nfs/dbraw/zinc/07/85/31/1074078531.db2.gz LTWDRBQTWDYJNB-OLZOCXBDSA-N 1 2 399.448 -2.022 20 0 GAADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000435270774 1074078617 /nfs/dbraw/zinc/07/86/17/1074078617.db2.gz LTWDRBQTWDYJNB-QWHCGFSZSA-N 1 2 399.448 -2.022 20 0 GAADLO COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000435270774 1074078613 /nfs/dbraw/zinc/07/86/13/1074078613.db2.gz LTWDRBQTWDYJNB-QWHCGFSZSA-N 1 2 399.448 -2.022 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000435270776 1074079011 /nfs/dbraw/zinc/07/90/11/1074079011.db2.gz LTWDRBQTWDYJNB-STQMWFEESA-N 1 2 399.448 -2.022 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000435270776 1074079004 /nfs/dbraw/zinc/07/90/04/1074079004.db2.gz LTWDRBQTWDYJNB-STQMWFEESA-N 1 2 399.448 -2.022 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000435278054 1074880900 /nfs/dbraw/zinc/88/09/00/1074880900.db2.gz LNLRYHBUPXOPDW-UHFFFAOYSA-N 1 2 390.444 -0.808 20 0 GAADLO COC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCO1 ZINC000435286078 1074882249 /nfs/dbraw/zinc/88/22/49/1074882249.db2.gz CABWITUEGPMWQS-CABCVRRESA-N 1 2 395.460 -0.536 20 0 GAADLO COC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCO1 ZINC000435286080 1074882874 /nfs/dbraw/zinc/88/28/74/1074882874.db2.gz CABWITUEGPMWQS-GJZGRUSLSA-N 1 2 395.460 -0.536 20 0 GAADLO COC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCO1 ZINC000435286081 1074078986 /nfs/dbraw/zinc/07/89/86/1074078986.db2.gz CABWITUEGPMWQS-HUUCEWRRSA-N 1 2 395.460 -0.536 20 0 GAADLO COC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCO1 ZINC000435286083 1074078972 /nfs/dbraw/zinc/07/89/72/1074078972.db2.gz CABWITUEGPMWQS-LSDHHAIUSA-N 1 2 395.460 -0.536 20 0 GAADLO CC[C@H](C)[C@@H](NC(=O)CS(=O)(=O)NC)C(=O)NCC[NH+]1CCOCC1 ZINC000435375577 530119485 /nfs/dbraw/zinc/11/94/85/530119485.db2.gz VNSGVNCBSVVLKV-GXTWGEPZSA-N 1 2 378.495 -1.485 20 0 GAADLO CC[C@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C(=O)NCC[NH+]1CCOCC1 ZINC000435375578 530119784 /nfs/dbraw/zinc/11/97/84/530119784.db2.gz VNSGVNCBSVVLKV-JSGCOSHPSA-N 1 2 378.495 -1.485 20 0 GAADLO CC[C@@H](C)[C@H](NC(=O)CS(=O)(=O)NC)C(=O)NCC[NH+]1CCOCC1 ZINC000435375579 530119877 /nfs/dbraw/zinc/11/98/77/530119877.db2.gz VNSGVNCBSVVLKV-OCCSQVGLSA-N 1 2 378.495 -1.485 20 0 GAADLO CC[C@@H](C)[C@@H](NC(=O)CS(=O)(=O)NC)C(=O)NCC[NH+]1CCOCC1 ZINC000435375580 530119534 /nfs/dbraw/zinc/11/95/34/530119534.db2.gz VNSGVNCBSVVLKV-TZMCWYRMSA-N 1 2 378.495 -1.485 20 0 GAADLO CCN(CC)S(=O)(=O)CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435559851 530119320 /nfs/dbraw/zinc/11/93/20/530119320.db2.gz KCHLQZAOPALKIU-AWEZNQCLSA-N 1 2 380.511 -1.008 20 0 GAADLO CCN(CC)S(=O)(=O)CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435559852 530119659 /nfs/dbraw/zinc/11/96/59/530119659.db2.gz KCHLQZAOPALKIU-CQSZACIVSA-N 1 2 380.511 -1.008 20 0 GAADLO CCN(CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)S(C)(=O)=O ZINC000435610000 530119617 /nfs/dbraw/zinc/11/96/17/530119617.db2.gz FACIAABNQWESSH-AWEZNQCLSA-N 1 2 380.511 -1.008 20 0 GAADLO CCN(CCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)S(C)(=O)=O ZINC000435610001 530119432 /nfs/dbraw/zinc/11/94/32/530119432.db2.gz FACIAABNQWESSH-CQSZACIVSA-N 1 2 380.511 -1.008 20 0 GAADLO CCS(=O)(=O)N(C)CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435626461 530119932 /nfs/dbraw/zinc/11/99/32/530119932.db2.gz OOLQINVTXLGPDQ-AWEZNQCLSA-N 1 2 380.511 -1.008 20 0 GAADLO CCS(=O)(=O)N(C)CCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435626464 530119505 /nfs/dbraw/zinc/11/95/05/530119505.db2.gz OOLQINVTXLGPDQ-CQSZACIVSA-N 1 2 380.511 -1.008 20 0 GAADLO C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704502 1074086183 /nfs/dbraw/zinc/08/61/83/1074086183.db2.gz KAZKUWHUNRKGNC-QLFBSQMISA-N 1 2 398.460 -2.245 20 0 GAADLO C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704502 1074086172 /nfs/dbraw/zinc/08/61/72/1074086172.db2.gz KAZKUWHUNRKGNC-QLFBSQMISA-N 1 2 398.460 -2.245 20 0 GAADLO C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704503 1074086468 /nfs/dbraw/zinc/08/64/68/1074086468.db2.gz KAZKUWHUNRKGNC-RBSFLKMASA-N 1 2 398.460 -2.245 20 0 GAADLO C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704503 1074086460 /nfs/dbraw/zinc/08/64/60/1074086460.db2.gz KAZKUWHUNRKGNC-RBSFLKMASA-N 1 2 398.460 -2.245 20 0 GAADLO C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704504 1074086076 /nfs/dbraw/zinc/08/60/76/1074086076.db2.gz KAZKUWHUNRKGNC-RRFJBIMHSA-N 1 2 398.460 -2.245 20 0 GAADLO C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704504 1074086067 /nfs/dbraw/zinc/08/60/67/1074086067.db2.gz KAZKUWHUNRKGNC-RRFJBIMHSA-N 1 2 398.460 -2.245 20 0 GAADLO C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704622 1074086265 /nfs/dbraw/zinc/08/62/65/1074086265.db2.gz KAZKUWHUNRKGNC-SOUVJXGZSA-N 1 2 398.460 -2.245 20 0 GAADLO C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1O ZINC000435704622 1074086252 /nfs/dbraw/zinc/08/62/52/1074086252.db2.gz KAZKUWHUNRKGNC-SOUVJXGZSA-N 1 2 398.460 -2.245 20 0 GAADLO O=C(CN1CN=NC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000436106488 1074089877 /nfs/dbraw/zinc/08/98/77/1074089877.db2.gz FRTIGUBSHHFBHQ-UHFFFAOYSA-N 1 2 395.445 -1.353 20 0 GAADLO CN(C)S(=O)(=O)NCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000436517506 1074094297 /nfs/dbraw/zinc/09/42/97/1074094297.db2.gz GVDGUVCCUSCMNT-UHFFFAOYSA-N 1 2 389.482 -1.267 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@H](C)O1 ZINC000436958771 1074097614 /nfs/dbraw/zinc/09/76/14/1074097614.db2.gz CNZLQUMVZRBDPP-OKILXGFUSA-N 1 2 394.476 -0.523 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@H](C)O1 ZINC000436958771 1074097608 /nfs/dbraw/zinc/09/76/08/1074097608.db2.gz CNZLQUMVZRBDPP-OKILXGFUSA-N 1 2 394.476 -0.523 20 0 GAADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000436965380 1074097131 /nfs/dbraw/zinc/09/71/31/1074097131.db2.gz JFZYQVBCFCNMPA-ZIAGYGMSSA-N 1 2 392.460 -0.769 20 0 GAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000437037149 1074098289 /nfs/dbraw/zinc/09/82/89/1074098289.db2.gz BDABDCQGGGHPCU-CYBMUJFWSA-N 1 2 383.474 -1.235 20 0 GAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000437037155 1074098257 /nfs/dbraw/zinc/09/82/57/1074098257.db2.gz BDABDCQGGGHPCU-ZDUSSCGKSA-N 1 2 383.474 -1.235 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000438175501 1074115471 /nfs/dbraw/zinc/11/54/71/1074115471.db2.gz PJEYBEFFAIVSNG-GXTWGEPZSA-N 1 2 395.485 -1.432 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000438175502 1074115556 /nfs/dbraw/zinc/11/55/56/1074115556.db2.gz PJEYBEFFAIVSNG-JSGCOSHPSA-N 1 2 395.485 -1.432 20 0 GAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000438175503 1074115444 /nfs/dbraw/zinc/11/54/44/1074115444.db2.gz PJEYBEFFAIVSNG-OCCSQVGLSA-N 1 2 395.485 -1.432 20 0 GAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000438175504 1074115530 /nfs/dbraw/zinc/11/55/30/1074115530.db2.gz PJEYBEFFAIVSNG-TZMCWYRMSA-N 1 2 395.485 -1.432 20 0 GAADLO C[C@@](O)(CNC(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000438306017 1074116767 /nfs/dbraw/zinc/11/67/67/1074116767.db2.gz OXZIDKBNGFTLLM-GOSISDBHSA-N 1 2 396.492 -0.580 20 0 GAADLO C[C@](O)(CNC(=O)Nc1ccn(CCN2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000438306020 1074116715 /nfs/dbraw/zinc/11/67/15/1074116715.db2.gz OXZIDKBNGFTLLM-SFHVURJKSA-N 1 2 396.492 -0.580 20 0 GAADLO O=C(NCCCN1C(=O)CNC1=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438309161 1074878045 /nfs/dbraw/zinc/87/80/45/1074878045.db2.gz XSVUODVXIOTRDQ-UHFFFAOYSA-N 1 2 379.421 -0.721 20 0 GAADLO CCNC(=O)CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438317492 1074882199 /nfs/dbraw/zinc/88/21/99/1074882199.db2.gz YMIBEXTZXBIXAS-UHFFFAOYSA-N 1 2 393.492 -0.499 20 0 GAADLO O=C(NCCNC(=O)c1cnccn1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438327428 1074117357 /nfs/dbraw/zinc/11/73/57/1074117357.db2.gz REZSMUCMOHMDHR-UHFFFAOYSA-N 1 2 388.432 -0.443 20 0 GAADLO O=C(NCCN1CCCS1(=O)=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438329103 1074877990 /nfs/dbraw/zinc/87/79/90/1074877990.db2.gz FJDVLMGINZNLMD-UHFFFAOYSA-N 1 2 386.478 -0.628 20 0 GAADLO COCC(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438337902 1074880265 /nfs/dbraw/zinc/88/02/65/1074880265.db2.gz OADASPMSAZIPPC-UHFFFAOYSA-N 1 2 380.449 -0.462 20 0 GAADLO CN(C)C(=O)CN(C)c1nc(N2CCOCC2)nc(N(C)CC(=O)N(C)C)[nH+]1 ZINC000438374238 1074117996 /nfs/dbraw/zinc/11/79/96/1074117996.db2.gz FKXXZQRXMQIGDN-UHFFFAOYSA-N 1 2 394.480 -1.243 20 0 GAADLO CN(C)C(=O)CN(C)c1nc(N(C)CC(=O)N(C)C)[nH+]c(N2CCOCC2)n1 ZINC000438374238 1074117984 /nfs/dbraw/zinc/11/79/84/1074117984.db2.gz FKXXZQRXMQIGDN-UHFFFAOYSA-N 1 2 394.480 -1.243 20 0 GAADLO O=C(C(=O)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)N1CCOCC1 ZINC000438581313 1074118880 /nfs/dbraw/zinc/11/88/80/1074118880.db2.gz PYOQEYJSSDZMFB-AWEZNQCLSA-N 1 2 375.429 -1.025 20 0 GAADLO O=C(C(=O)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)N1CCOCC1 ZINC000438581320 1074118863 /nfs/dbraw/zinc/11/88/63/1074118863.db2.gz PYOQEYJSSDZMFB-CQSZACIVSA-N 1 2 375.429 -1.025 20 0 GAADLO CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438758458 1074121712 /nfs/dbraw/zinc/12/17/12/1074121712.db2.gz OMWKLGQJXAIOPA-UHFFFAOYSA-N 1 2 381.433 -0.435 20 0 GAADLO CNS(=O)(=O)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000439067831 530120603 /nfs/dbraw/zinc/12/06/03/530120603.db2.gz HENBOICWYYHDHN-UHFFFAOYSA-N 1 2 375.495 -1.221 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000439098063 1074125274 /nfs/dbraw/zinc/12/52/74/1074125274.db2.gz ITZYDZWKSWBUCT-RSUGUSAISA-N 1 2 394.432 -1.430 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000439098082 1074125053 /nfs/dbraw/zinc/12/50/53/1074125053.db2.gz ITZYDZWKSWBUCT-YRGUDCOPSA-N 1 2 394.432 -1.430 20 0 GAADLO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](CCO)CC2)c(S(N)(=O)=O)c1 ZINC000439129683 530120177 /nfs/dbraw/zinc/12/01/77/530120177.db2.gz KCWHEIDDRUZJKD-UHFFFAOYSA-N 1 2 392.503 -1.301 20 0 GAADLO C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439196912 1074127622 /nfs/dbraw/zinc/12/76/22/1074127622.db2.gz HYTAVZHACJPKEF-GFCCVEGCSA-N 1 2 388.428 -1.245 20 0 GAADLO C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439196913 1074127553 /nfs/dbraw/zinc/12/75/53/1074127553.db2.gz HYTAVZHACJPKEF-LBPRGKRZSA-N 1 2 388.428 -1.245 20 0 GAADLO COC(C)(C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000439218394 530120362 /nfs/dbraw/zinc/12/03/62/530120362.db2.gz VFTSMKROHBLYSK-UHFFFAOYSA-N 1 2 398.551 -1.149 20 0 GAADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NCCO)c2)CC1 ZINC000439245049 1074128095 /nfs/dbraw/zinc/12/80/95/1074128095.db2.gz JTBDFSVSOOMCNV-UHFFFAOYSA-N 1 2 377.445 -1.403 20 0 GAADLO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)S(N)(=O)=O ZINC000439364653 530120231 /nfs/dbraw/zinc/12/02/31/530120231.db2.gz ZENZKDVJPUJIQT-CHWSQXEVSA-N 1 2 376.479 -1.507 20 0 GAADLO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)S(N)(=O)=O ZINC000439364658 530120466 /nfs/dbraw/zinc/12/04/66/530120466.db2.gz ZENZKDVJPUJIQT-OLZOCXBDSA-N 1 2 376.479 -1.507 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)S(N)(=O)=O ZINC000439364660 530120311 /nfs/dbraw/zinc/12/03/11/530120311.db2.gz ZENZKDVJPUJIQT-QWHCGFSZSA-N 1 2 376.479 -1.507 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)S(N)(=O)=O ZINC000439364662 530120549 /nfs/dbraw/zinc/12/05/49/530120549.db2.gz ZENZKDVJPUJIQT-STQMWFEESA-N 1 2 376.479 -1.507 20 0 GAADLO CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439388119 1074132041 /nfs/dbraw/zinc/13/20/41/1074132041.db2.gz OJAJUYHBUVFJPJ-HNNXBMFYSA-N 1 2 392.460 -0.863 20 0 GAADLO CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439388122 1074876959 /nfs/dbraw/zinc/87/69/59/1074876959.db2.gz OJAJUYHBUVFJPJ-OAHLLOKOSA-N 1 2 392.460 -0.863 20 0 GAADLO CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439554402 1074135744 /nfs/dbraw/zinc/13/57/44/1074135744.db2.gz YODPOSUVHDEZCA-UHFFFAOYSA-N 1 2 394.476 -1.056 20 0 GAADLO CN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000439561515 1074135674 /nfs/dbraw/zinc/13/56/74/1074135674.db2.gz NNJJUJMATIZLAC-UHFFFAOYSA-N 1 2 394.476 -1.056 20 0 GAADLO OCCN1CCN(c2cc(N3CC[NH+](CCO)CC3)nc3ncnn32)CC1 ZINC000439571546 1074135770 /nfs/dbraw/zinc/13/57/70/1074135770.db2.gz LZADIUJNPHMJIF-UHFFFAOYSA-N 1 2 376.465 -1.647 20 0 GAADLO CNS(=O)(=O)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000439620407 1074137617 /nfs/dbraw/zinc/13/76/17/1074137617.db2.gz TUGVQYKAEBFTPN-UHFFFAOYSA-N 1 2 398.489 -1.031 20 0 GAADLO CCS(=O)(=O)N1CC(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000439917433 1074143006 /nfs/dbraw/zinc/14/30/06/1074143006.db2.gz IMMPKEPHXZFPDL-CYBMUJFWSA-N 1 2 391.494 -1.905 20 0 GAADLO CCS(=O)(=O)N1CC(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000439917433 1074142999 /nfs/dbraw/zinc/14/29/99/1074142999.db2.gz IMMPKEPHXZFPDL-CYBMUJFWSA-N 1 2 391.494 -1.905 20 0 GAADLO CCS(=O)(=O)N1CC(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000439917434 1074143104 /nfs/dbraw/zinc/14/31/04/1074143104.db2.gz IMMPKEPHXZFPDL-ZDUSSCGKSA-N 1 2 391.494 -1.905 20 0 GAADLO CCS(=O)(=O)N1CC(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000439917434 1074143097 /nfs/dbraw/zinc/14/30/97/1074143097.db2.gz IMMPKEPHXZFPDL-ZDUSSCGKSA-N 1 2 391.494 -1.905 20 0 GAADLO CCS(=O)(=O)N1CC(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000439929049 530120460 /nfs/dbraw/zinc/12/04/60/530120460.db2.gz HKJDGDILNUTSDM-AWEZNQCLSA-N 1 2 378.495 -1.398 20 0 GAADLO CCS(=O)(=O)N1CC(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000439929051 530120204 /nfs/dbraw/zinc/12/02/04/530120204.db2.gz HKJDGDILNUTSDM-CQSZACIVSA-N 1 2 378.495 -1.398 20 0 GAADLO Cn1nncc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000440067163 530120867 /nfs/dbraw/zinc/12/08/67/530120867.db2.gz YRDLWZVEBQVPEA-UHFFFAOYSA-N 1 2 393.495 -2.386 20 0 GAADLO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000440270405 1074146399 /nfs/dbraw/zinc/14/63/99/1074146399.db2.gz QQWAEZZSFHILHT-CYBMUJFWSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000440270408 1074146386 /nfs/dbraw/zinc/14/63/86/1074146386.db2.gz QQWAEZZSFHILHT-ZDUSSCGKSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000440275941 1074146301 /nfs/dbraw/zinc/14/63/01/1074146301.db2.gz LBTXHMFFFDERRT-CYBMUJFWSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000440275941 1074146298 /nfs/dbraw/zinc/14/62/98/1074146298.db2.gz LBTXHMFFFDERRT-CYBMUJFWSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000440275942 1074146416 /nfs/dbraw/zinc/14/64/16/1074146416.db2.gz LBTXHMFFFDERRT-ZDUSSCGKSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000440275942 1074146410 /nfs/dbraw/zinc/14/64/10/1074146410.db2.gz LBTXHMFFFDERRT-ZDUSSCGKSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000440282152 1074146430 /nfs/dbraw/zinc/14/64/30/1074146430.db2.gz LRJFQFXBURZDJZ-CYBMUJFWSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000440282152 1074146427 /nfs/dbraw/zinc/14/64/27/1074146427.db2.gz LRJFQFXBURZDJZ-CYBMUJFWSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000440282159 1074146778 /nfs/dbraw/zinc/14/67/78/1074146778.db2.gz LRJFQFXBURZDJZ-ZDUSSCGKSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000440282159 1074146772 /nfs/dbraw/zinc/14/67/72/1074146772.db2.gz LRJFQFXBURZDJZ-ZDUSSCGKSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000440292713 1074146820 /nfs/dbraw/zinc/14/68/20/1074146820.db2.gz HMZUVHIWPNXBRG-CYBMUJFWSA-N 1 2 378.433 -1.157 20 0 GAADLO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000440292715 1074146893 /nfs/dbraw/zinc/14/68/93/1074146893.db2.gz HMZUVHIWPNXBRG-ZDUSSCGKSA-N 1 2 378.433 -1.157 20 0 GAADLO CCOCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000440352333 530099649 /nfs/dbraw/zinc/09/96/49/530099649.db2.gz GBMCLASOQXFXOQ-UHFFFAOYSA-N 1 2 377.511 -1.751 20 0 GAADLO Cc1cc(N2CC[C@H]([NH2+][C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2=O)n(C)n1 ZINC000440466333 1074156130 /nfs/dbraw/zinc/15/61/30/1074156130.db2.gz ASMIHHVGGSZIFX-KKUMJFAQSA-N 1 2 397.501 -1.079 20 0 GAADLO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2=O)n(C)n1 ZINC000440466356 1074156035 /nfs/dbraw/zinc/15/60/35/1074156035.db2.gz ASMIHHVGGSZIFX-RRFJBIMHSA-N 1 2 397.501 -1.079 20 0 GAADLO Cc1cc(N2CC[C@H]([NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2=O)n(C)n1 ZINC000440466359 1074156088 /nfs/dbraw/zinc/15/60/88/1074156088.db2.gz ASMIHHVGGSZIFX-SOUVJXGZSA-N 1 2 397.501 -1.079 20 0 GAADLO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2=O)n(C)n1 ZINC000440466362 1074155940 /nfs/dbraw/zinc/15/59/40/1074155940.db2.gz ASMIHHVGGSZIFX-ZNMIVQPWSA-N 1 2 397.501 -1.079 20 0 GAADLO CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000440580788 1074872077 /nfs/dbraw/zinc/87/20/77/1074872077.db2.gz QUSAUHWOLKUUDA-AWEZNQCLSA-N 1 2 392.460 -0.767 20 0 GAADLO CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000440580790 1074166182 /nfs/dbraw/zinc/16/61/82/1074166182.db2.gz QUSAUHWOLKUUDA-CQSZACIVSA-N 1 2 392.460 -0.767 20 0 GAADLO NC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000440663888 1074167399 /nfs/dbraw/zinc/16/73/99/1074167399.db2.gz WOKNNKDMTJEVRQ-AWEZNQCLSA-N 1 2 375.429 -1.023 20 0 GAADLO NC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000440663897 1074167203 /nfs/dbraw/zinc/16/72/03/1074167203.db2.gz WOKNNKDMTJEVRQ-CQSZACIVSA-N 1 2 375.429 -1.023 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCSC[C@H]1CO ZINC000440665390 1074880985 /nfs/dbraw/zinc/88/09/85/1074880985.db2.gz HGLXSFDPTNXREW-CYBMUJFWSA-N 1 2 383.474 -0.910 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCSC[C@@H]1CO ZINC000440665392 1074880935 /nfs/dbraw/zinc/88/09/35/1074880935.db2.gz HGLXSFDPTNXREW-ZDUSSCGKSA-N 1 2 383.474 -0.910 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(Cc3ncnn3CCF)CC2)CC1 ZINC000440688815 530121390 /nfs/dbraw/zinc/12/13/90/530121390.db2.gz BIEMGAYBYUFWLZ-UHFFFAOYSA-N 1 2 375.474 -1.143 20 0 GAADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH+](CCO)CCO ZINC000440708420 530121401 /nfs/dbraw/zinc/12/14/01/530121401.db2.gz DKLOEIOUZMPVMT-UHFFFAOYSA-N 1 2 380.488 -1.003 20 0 GAADLO CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1CCNC1=O ZINC000440964947 1073439327 /nfs/dbraw/zinc/43/93/27/1073439327.db2.gz RWNNJKFKLCFWMP-HNNXBMFYSA-N 1 2 381.477 -1.800 20 0 GAADLO CC[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1CCNC1=O ZINC000440964947 1073439320 /nfs/dbraw/zinc/43/93/20/1073439320.db2.gz RWNNJKFKLCFWMP-HNNXBMFYSA-N 1 2 381.477 -1.800 20 0 GAADLO CC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CCNC1=O ZINC000440964954 1073439594 /nfs/dbraw/zinc/43/95/94/1073439594.db2.gz RWNNJKFKLCFWMP-OAHLLOKOSA-N 1 2 381.477 -1.800 20 0 GAADLO CC[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CCNC1=O ZINC000440964954 1073439591 /nfs/dbraw/zinc/43/95/91/1073439591.db2.gz RWNNJKFKLCFWMP-OAHLLOKOSA-N 1 2 381.477 -1.800 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000440985664 1074169389 /nfs/dbraw/zinc/16/93/89/1074169389.db2.gz PSNXMBUFFNJWLQ-HNNXBMFYSA-N 1 2 389.416 -1.248 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000440985676 1074169265 /nfs/dbraw/zinc/16/92/65/1074169265.db2.gz PSNXMBUFFNJWLQ-OAHLLOKOSA-N 1 2 389.416 -1.248 20 0 GAADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1C ZINC000440994302 1074169356 /nfs/dbraw/zinc/16/93/56/1074169356.db2.gz TXXNTQHNMFXGDF-CYBMUJFWSA-N 1 2 382.417 -1.098 20 0 GAADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1C ZINC000440994305 1074169298 /nfs/dbraw/zinc/16/92/98/1074169298.db2.gz TXXNTQHNMFXGDF-ZDUSSCGKSA-N 1 2 382.417 -1.098 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000440995800 1074169343 /nfs/dbraw/zinc/16/93/43/1074169343.db2.gz XBMSTOHVOQJRKG-HNNXBMFYSA-N 1 2 389.416 -1.248 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000440995802 1074169970 /nfs/dbraw/zinc/16/99/70/1074169970.db2.gz XBMSTOHVOQJRKG-OAHLLOKOSA-N 1 2 389.416 -1.248 20 0 GAADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441010799 1074169989 /nfs/dbraw/zinc/16/99/89/1074169989.db2.gz NQDIPHATMINTHU-GFCCVEGCSA-N 1 2 396.448 -1.359 20 0 GAADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441010800 1074169992 /nfs/dbraw/zinc/16/99/92/1074169992.db2.gz NQDIPHATMINTHU-LBPRGKRZSA-N 1 2 396.448 -1.359 20 0 GAADLO CCN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1=O ZINC000441013384 1074169997 /nfs/dbraw/zinc/16/99/97/1074169997.db2.gz ULEOFIQENHVTJF-AWEZNQCLSA-N 1 2 392.460 -0.767 20 0 GAADLO CCN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1=O ZINC000441013385 1074169995 /nfs/dbraw/zinc/16/99/95/1074169995.db2.gz ULEOFIQENHVTJF-CQSZACIVSA-N 1 2 392.460 -0.767 20 0 GAADLO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000441229436 1074171164 /nfs/dbraw/zinc/17/11/64/1074171164.db2.gz ITKSTNZZQVOLJP-NOZJJQNGSA-N 1 2 382.417 -1.517 20 0 GAADLO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000441229442 1074171217 /nfs/dbraw/zinc/17/12/17/1074171217.db2.gz ITKSTNZZQVOLJP-RNCFNFMXSA-N 1 2 382.417 -1.517 20 0 GAADLO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000441229896 1074171355 /nfs/dbraw/zinc/17/13/55/1074171355.db2.gz ITKSTNZZQVOLJP-TVQRCGJNSA-N 1 2 382.417 -1.517 20 0 GAADLO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000441229897 1074171272 /nfs/dbraw/zinc/17/12/72/1074171272.db2.gz ITKSTNZZQVOLJP-ZANVPECISA-N 1 2 382.417 -1.517 20 0 GAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441246687 1074171308 /nfs/dbraw/zinc/17/13/08/1074171308.db2.gz PLMLYMFWFAPBHU-CYBMUJFWSA-N 1 2 384.506 -1.017 20 0 GAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441246688 1074171791 /nfs/dbraw/zinc/17/17/91/1074171791.db2.gz PLMLYMFWFAPBHU-ZDUSSCGKSA-N 1 2 384.506 -1.017 20 0 GAADLO COCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)c(=O)[nH]c1=O ZINC000441251150 1074171784 /nfs/dbraw/zinc/17/17/84/1074171784.db2.gz RXVXMPHKXXVICA-CYBMUJFWSA-N 1 2 398.416 -1.394 20 0 GAADLO COCCn1c(N)c(C(=O)C[NH+]2CCC([C@H](O)C(=O)OC)CC2)c(=O)[nH]c1=O ZINC000441251155 1074171821 /nfs/dbraw/zinc/17/18/21/1074171821.db2.gz RXVXMPHKXXVICA-ZDUSSCGKSA-N 1 2 398.416 -1.394 20 0 GAADLO COCCCOC1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441302036 1074171774 /nfs/dbraw/zinc/17/17/74/1074171774.db2.gz KRXUXURYMZVVQR-UHFFFAOYSA-N 1 2 395.460 -0.582 20 0 GAADLO COC(=O)CN(CCNS(=O)(=O)c1cnn(C)c1)CC[NH+]1CCOCC1 ZINC000441398142 1074172907 /nfs/dbraw/zinc/17/29/07/1074172907.db2.gz 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CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCOCC(N)=O)c2)CC1 ZINC000441899743 1074194307 /nfs/dbraw/zinc/19/43/07/1074194307.db2.gz JPRJYTUSWANOBN-UHFFFAOYSA-N 1 2 377.445 -1.009 20 0 GAADLO COC(=O)Cn1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000441996807 1074194771 /nfs/dbraw/zinc/19/47/71/1074194771.db2.gz COXNVIQUTOZZDF-CYBMUJFWSA-N 1 2 394.432 -1.752 20 0 GAADLO COC(=O)Cn1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000441996813 1074194810 /nfs/dbraw/zinc/19/48/10/1074194810.db2.gz COXNVIQUTOZZDF-ZDUSSCGKSA-N 1 2 394.432 -1.752 20 0 GAADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000442051313 1074198116 /nfs/dbraw/zinc/19/81/16/1074198116.db2.gz FDSXQPFENZCKDB-GFCCVEGCSA-N 1 2 394.432 -1.337 20 0 GAADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cn1 ZINC000442051313 1074198111 /nfs/dbraw/zinc/19/81/11/1074198111.db2.gz FDSXQPFENZCKDB-GFCCVEGCSA-N 1 2 394.432 -1.337 20 0 GAADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000442051315 1074197973 /nfs/dbraw/zinc/19/79/73/1074197973.db2.gz FDSXQPFENZCKDB-LBPRGKRZSA-N 1 2 394.432 -1.337 20 0 GAADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cn1 ZINC000442051315 1074197972 /nfs/dbraw/zinc/19/79/72/1074197972.db2.gz FDSXQPFENZCKDB-LBPRGKRZSA-N 1 2 394.432 -1.337 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000442053691 530120833 /nfs/dbraw/zinc/12/08/33/530120833.db2.gz ILECFTQIQOCXRD-GHMZBOCLSA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000442053691 530120830 /nfs/dbraw/zinc/12/08/30/530120830.db2.gz ILECFTQIQOCXRD-GHMZBOCLSA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000442053695 530121237 /nfs/dbraw/zinc/12/12/37/530121237.db2.gz ILECFTQIQOCXRD-MNOVXSKESA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@H](C)C1 ZINC000442053695 530121234 /nfs/dbraw/zinc/12/12/34/530121234.db2.gz ILECFTQIQOCXRD-MNOVXSKESA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000442053698 530121154 /nfs/dbraw/zinc/12/11/54/530121154.db2.gz ILECFTQIQOCXRD-QWRGUYRKSA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000442053698 530121151 /nfs/dbraw/zinc/12/11/51/530121151.db2.gz ILECFTQIQOCXRD-QWRGUYRKSA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000442053702 530121339 /nfs/dbraw/zinc/12/13/39/530121339.db2.gz ILECFTQIQOCXRD-WDEREUQCSA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)[C@@H](C)C1 ZINC000442053702 530121337 /nfs/dbraw/zinc/12/13/37/530121337.db2.gz ILECFTQIQOCXRD-WDEREUQCSA-N 1 2 378.451 -2.125 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@H](C)C1 ZINC000442077808 1074198754 /nfs/dbraw/zinc/19/87/54/1074198754.db2.gz JJQJCSIGXGJMCK-LLVKDONJSA-N 1 2 380.405 -1.597 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@H](C)C1 ZINC000442077808 1074198752 /nfs/dbraw/zinc/19/87/52/1074198752.db2.gz JJQJCSIGXGJMCK-LLVKDONJSA-N 1 2 380.405 -1.597 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@@H](C)C1 ZINC000442077811 1074198742 /nfs/dbraw/zinc/19/87/42/1074198742.db2.gz JJQJCSIGXGJMCK-NSHDSACASA-N 1 2 380.405 -1.597 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@@H](C)C1 ZINC000442077811 1074198736 /nfs/dbraw/zinc/19/87/36/1074198736.db2.gz JJQJCSIGXGJMCK-NSHDSACASA-N 1 2 380.405 -1.597 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCSC[C@@H]1CCO ZINC000442085794 1074880927 /nfs/dbraw/zinc/88/09/27/1074880927.db2.gz WNAGGBKMGBGXMP-AWEZNQCLSA-N 1 2 397.501 -0.520 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCSC[C@H]1CCO ZINC000442085796 1074880993 /nfs/dbraw/zinc/88/09/93/1074880993.db2.gz WNAGGBKMGBGXMP-CQSZACIVSA-N 1 2 397.501 -0.520 20 0 GAADLO CCOCCOC1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000442398699 1074201294 /nfs/dbraw/zinc/20/12/94/1074201294.db2.gz YGOAIZKTAZOORE-UHFFFAOYSA-N 1 2 395.460 -0.582 20 0 GAADLO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442538305 1074202243 /nfs/dbraw/zinc/20/22/43/1074202243.db2.gz DWLDQHFENGSVBC-CABCVRRESA-N 1 2 395.460 -0.848 20 0 GAADLO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442538311 1074202209 /nfs/dbraw/zinc/20/22/09/1074202209.db2.gz DWLDQHFENGSVBC-GJZGRUSLSA-N 1 2 395.460 -0.848 20 0 GAADLO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442538314 1074202392 /nfs/dbraw/zinc/20/23/92/1074202392.db2.gz DWLDQHFENGSVBC-HUUCEWRRSA-N 1 2 395.460 -0.848 20 0 GAADLO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442538315 1074202253 /nfs/dbraw/zinc/20/22/53/1074202253.db2.gz DWLDQHFENGSVBC-LSDHHAIUSA-N 1 2 395.460 -0.848 20 0 GAADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[N@@H+](CCO)CC3)cnc21 ZINC000443145288 1074205658 /nfs/dbraw/zinc/20/56/58/1074205658.db2.gz MTQDIRUSVJMFGC-UHFFFAOYSA-N 1 2 383.430 -1.277 20 0 GAADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[N@H+](CCO)CC3)cnc21 ZINC000443145288 1074205648 /nfs/dbraw/zinc/20/56/48/1074205648.db2.gz MTQDIRUSVJMFGC-UHFFFAOYSA-N 1 2 383.430 -1.277 20 0 GAADLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443206052 530105365 /nfs/dbraw/zinc/10/53/65/530105365.db2.gz VSOMTACMTLTJDN-UHFFFAOYSA-N 1 2 384.524 -1.803 20 0 GAADLO COC(=O)C1CCN(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000443236485 530121845 /nfs/dbraw/zinc/12/18/45/530121845.db2.gz GCPOTQFVUUAKCX-HNNXBMFYSA-N 1 2 379.479 -1.211 20 0 GAADLO COC(=O)C1CCN(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000443236487 530122181 /nfs/dbraw/zinc/12/21/81/530122181.db2.gz GCPOTQFVUUAKCX-OAHLLOKOSA-N 1 2 379.479 -1.211 20 0 GAADLO COC(=O)Cn1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000443241773 530121870 /nfs/dbraw/zinc/12/18/70/530121870.db2.gz AXHHJGCQPCWLEM-AWEZNQCLSA-N 1 2 376.435 -1.582 20 0 GAADLO COC(=O)Cn1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000443241774 530121528 /nfs/dbraw/zinc/12/15/28/530121528.db2.gz AXHHJGCQPCWLEM-CQSZACIVSA-N 1 2 376.435 -1.582 20 0 GAADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443243306 530122022 /nfs/dbraw/zinc/12/20/22/530122022.db2.gz CZJFBPAREUDAKK-DZGCQCFKSA-N 1 2 379.479 -1.069 20 0 GAADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443243313 530121967 /nfs/dbraw/zinc/12/19/67/530121967.db2.gz CZJFBPAREUDAKK-HIFRSBDPSA-N 1 2 379.479 -1.069 20 0 GAADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443243318 530121764 /nfs/dbraw/zinc/12/17/64/530121764.db2.gz CZJFBPAREUDAKK-UKRRQHHQSA-N 1 2 379.479 -1.069 20 0 GAADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443243320 530122113 /nfs/dbraw/zinc/12/21/13/530122113.db2.gz CZJFBPAREUDAKK-ZFWWWQNUSA-N 1 2 379.479 -1.069 20 0 GAADLO C[C@](O)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000443244943 530122166 /nfs/dbraw/zinc/12/21/66/530122166.db2.gz ZJIWIDVBVBLSLP-AWEZNQCLSA-N 1 2 393.487 -1.305 20 0 GAADLO C[C@@](O)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000443244947 530122187 /nfs/dbraw/zinc/12/21/87/530122187.db2.gz ZJIWIDVBVBLSLP-CQSZACIVSA-N 1 2 393.487 -1.305 20 0 GAADLO Cn1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000443248162 530121776 /nfs/dbraw/zinc/12/17/76/530121776.db2.gz KJZDINGBDDVKIJ-AWEZNQCLSA-N 1 2 376.435 -2.555 20 0 GAADLO Cn1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000443248204 530122055 /nfs/dbraw/zinc/12/20/55/530122055.db2.gz KJZDINGBDDVKIJ-CQSZACIVSA-N 1 2 376.435 -2.555 20 0 GAADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443251687 530122040 /nfs/dbraw/zinc/12/20/40/530122040.db2.gz CLQXSEGBTPSYNZ-AWEZNQCLSA-N 1 2 376.435 -1.052 20 0 GAADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443251688 530122090 /nfs/dbraw/zinc/12/20/90/530122090.db2.gz CLQXSEGBTPSYNZ-CQSZACIVSA-N 1 2 376.435 -1.052 20 0 GAADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443328756 530121917 /nfs/dbraw/zinc/12/19/17/530121917.db2.gz GVNHDZOJZBRWAU-CYBMUJFWSA-N 1 2 384.524 -1.803 20 0 GAADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443328757 530122132 /nfs/dbraw/zinc/12/21/32/530122132.db2.gz GVNHDZOJZBRWAU-ZDUSSCGKSA-N 1 2 384.524 -1.803 20 0 GAADLO COC(=O)C1CCN(S(=O)(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000443351556 530122125 /nfs/dbraw/zinc/12/21/25/530122125.db2.gz MTLTUPJHJJNHEH-AWEZNQCLSA-N 1 2 379.479 -1.259 20 0 GAADLO COC(=O)C1CCN(S(=O)(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000443351557 530121881 /nfs/dbraw/zinc/12/18/81/530121881.db2.gz MTLTUPJHJJNHEH-CQSZACIVSA-N 1 2 379.479 -1.259 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000443352467 530122228 /nfs/dbraw/zinc/12/22/28/530122228.db2.gz CXOQLGQXGGHGHX-GFCCVEGCSA-N 1 2 393.487 -1.352 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000443352468 530122506 /nfs/dbraw/zinc/12/25/06/530122506.db2.gz CXOQLGQXGGHGHX-LBPRGKRZSA-N 1 2 393.487 -1.352 20 0 GAADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000443468747 530122547 /nfs/dbraw/zinc/12/25/47/530122547.db2.gz PBJWFMTXATYWPS-UHFFFAOYSA-N 1 2 392.507 -1.651 20 0 GAADLO CCOCC[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443472375 530122797 /nfs/dbraw/zinc/12/27/97/530122797.db2.gz HULDSIZZUWNQNH-UHFFFAOYSA-N 1 2 384.524 -1.538 20 0 GAADLO C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000443478385 530122842 /nfs/dbraw/zinc/12/28/42/530122842.db2.gz VPDQNMLBQXQSMD-CHWSQXEVSA-N 1 2 384.524 -1.493 20 0 GAADLO C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000443478393 530122716 /nfs/dbraw/zinc/12/27/16/530122716.db2.gz VPDQNMLBQXQSMD-OLZOCXBDSA-N 1 2 384.524 -1.493 20 0 GAADLO C[C@H]([C@H](C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000443478395 530122550 /nfs/dbraw/zinc/12/25/50/530122550.db2.gz VPDQNMLBQXQSMD-QWHCGFSZSA-N 1 2 384.524 -1.493 20 0 GAADLO C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000443478398 530122491 /nfs/dbraw/zinc/12/24/91/530122491.db2.gz VPDQNMLBQXQSMD-STQMWFEESA-N 1 2 384.524 -1.493 20 0 GAADLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443479325 530122541 /nfs/dbraw/zinc/12/25/41/530122541.db2.gz XBOAUXVIBYXIQC-UHFFFAOYSA-N 1 2 384.524 -1.491 20 0 GAADLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443479325 530122539 /nfs/dbraw/zinc/12/25/39/530122539.db2.gz XBOAUXVIBYXIQC-UHFFFAOYSA-N 1 2 384.524 -1.491 20 0 GAADLO Cn1[nH]cnc1=NS(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+](C)C ZINC000443480051 530122570 /nfs/dbraw/zinc/12/25/70/530122570.db2.gz AEOHGMOOMDBXFC-UHFFFAOYSA-N 1 2 388.475 -1.122 20 0 GAADLO NS(=O)(=O)[C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000443486419 1074208015 /nfs/dbraw/zinc/20/80/15/1074208015.db2.gz IHHJTFFELAABHP-CYBMUJFWSA-N 1 2 383.478 -1.329 20 0 GAADLO NS(=O)(=O)[C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000443486420 1074208182 /nfs/dbraw/zinc/20/81/82/1074208182.db2.gz IHHJTFFELAABHP-ZDUSSCGKSA-N 1 2 383.478 -1.329 20 0 GAADLO CC(C)OCC[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443487725 530123400 /nfs/dbraw/zinc/12/34/00/530123400.db2.gz SECFPSAJTINSKB-UHFFFAOYSA-N 1 2 398.551 -1.149 20 0 GAADLO C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000443488532 530123017 /nfs/dbraw/zinc/12/30/17/530123017.db2.gz UFRLLUPWYVNBDX-CYBMUJFWSA-N 1 2 384.524 -1.634 20 0 GAADLO C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000443488534 530123466 /nfs/dbraw/zinc/12/34/66/530123466.db2.gz UFRLLUPWYVNBDX-ZDUSSCGKSA-N 1 2 384.524 -1.634 20 0 GAADLO CC(C)(CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000443503409 530123411 /nfs/dbraw/zinc/12/34/11/530123411.db2.gz YUABYEZYMVNPEF-UHFFFAOYSA-N 1 2 377.511 -1.287 20 0 GAADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443517925 530123243 /nfs/dbraw/zinc/12/32/43/530123243.db2.gz FHWHBGABRKZKHW-UHFFFAOYSA-N 1 2 377.511 -1.287 20 0 GAADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000443517925 530123242 /nfs/dbraw/zinc/12/32/42/530123242.db2.gz FHWHBGABRKZKHW-UHFFFAOYSA-N 1 2 377.511 -1.287 20 0 GAADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000443527543 530123048 /nfs/dbraw/zinc/12/30/48/530123048.db2.gz CEMWYXLXVFNBAA-AWEZNQCLSA-N 1 2 398.551 -1.245 20 0 GAADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000443527543 530123047 /nfs/dbraw/zinc/12/30/47/530123047.db2.gz CEMWYXLXVFNBAA-AWEZNQCLSA-N 1 2 398.551 -1.245 20 0 GAADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000443527544 530123137 /nfs/dbraw/zinc/12/31/37/530123137.db2.gz CEMWYXLXVFNBAA-CQSZACIVSA-N 1 2 398.551 -1.245 20 0 GAADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000443527544 530123134 /nfs/dbraw/zinc/12/31/34/530123134.db2.gz CEMWYXLXVFNBAA-CQSZACIVSA-N 1 2 398.551 -1.245 20 0 GAADLO C[C@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)S(N)(=O)=O ZINC000443527819 530123126 /nfs/dbraw/zinc/12/31/26/530123126.db2.gz JRWKEQSBFYNXBE-GFCCVEGCSA-N 1 2 375.495 -1.093 20 0 GAADLO C[C@@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)S(N)(=O)=O ZINC000443527821 530123108 /nfs/dbraw/zinc/12/31/08/530123108.db2.gz JRWKEQSBFYNXBE-LBPRGKRZSA-N 1 2 375.495 -1.093 20 0 GAADLO C[C@H]1C[NH+](CCCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000443533391 530123431 /nfs/dbraw/zinc/12/34/31/530123431.db2.gz QIUNMSGRMNNRDX-KBPBESRZSA-N 1 2 398.551 -1.103 20 0 GAADLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000443533392 530123490 /nfs/dbraw/zinc/12/34/90/530123490.db2.gz QIUNMSGRMNNRDX-OKILXGFUSA-N 1 2 398.551 -1.103 20 0 GAADLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000443533392 530123487 /nfs/dbraw/zinc/12/34/87/530123487.db2.gz QIUNMSGRMNNRDX-OKILXGFUSA-N 1 2 398.551 -1.103 20 0 GAADLO C[C@@H]1C[NH+](CCCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000443533393 530123329 /nfs/dbraw/zinc/12/33/29/530123329.db2.gz QIUNMSGRMNNRDX-ZIAGYGMSSA-N 1 2 398.551 -1.103 20 0 GAADLO COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](C)O1 ZINC000443758133 1074213073 /nfs/dbraw/zinc/21/30/73/1074213073.db2.gz MUHVOEFLCLJZMF-CABCVRRESA-N 1 2 395.460 -0.584 20 0 GAADLO COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000443758137 1074213146 /nfs/dbraw/zinc/21/31/46/1074213146.db2.gz MUHVOEFLCLJZMF-GJZGRUSLSA-N 1 2 395.460 -0.584 20 0 GAADLO COC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](C)O1 ZINC000443758139 1074213086 /nfs/dbraw/zinc/21/30/86/1074213086.db2.gz MUHVOEFLCLJZMF-HUUCEWRRSA-N 1 2 395.460 -0.584 20 0 GAADLO COC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000443758141 1074213156 /nfs/dbraw/zinc/21/31/56/1074213156.db2.gz MUHVOEFLCLJZMF-LSDHHAIUSA-N 1 2 395.460 -0.584 20 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/nfs/dbraw/zinc/24/30/63/1074243063.db2.gz YGRQNGMYIUZAQT-UHFFFAOYSA-N 1 2 378.429 -1.241 20 0 GAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000445157964 1074243044 /nfs/dbraw/zinc/24/30/44/1074243044.db2.gz KJOZACTVSIBSMT-CYBMUJFWSA-N 1 2 390.444 -1.519 20 0 GAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000445160542 1074243015 /nfs/dbraw/zinc/24/30/15/1074243015.db2.gz HUDWEVMKPFSLRS-OAHLLOKOSA-N 1 2 394.476 -1.321 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000445169163 1074880908 /nfs/dbraw/zinc/88/09/08/1074880908.db2.gz VZEXLALTXWLXRW-HNNXBMFYSA-N 1 2 395.460 -0.846 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000445169164 1074880976 /nfs/dbraw/zinc/88/09/76/1074880976.db2.gz VZEXLALTXWLXRW-OAHLLOKOSA-N 1 2 395.460 -0.846 20 0 GAADLO COCCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000445171589 1074242976 /nfs/dbraw/zinc/24/29/76/1074242976.db2.gz HFPJRPKWOKYHRJ-HNNXBMFYSA-N 1 2 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/nfs/dbraw/zinc/31/86/62/1074318662.db2.gz FKUDULZUCRLWIN-HUUCEWRRSA-N 1 2 395.504 -1.677 20 0 GAADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000459889481 1074318707 /nfs/dbraw/zinc/31/87/07/1074318707.db2.gz FKUDULZUCRLWIN-LSDHHAIUSA-N 1 2 395.504 -1.677 20 0 GAADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000459890605 530128112 /nfs/dbraw/zinc/12/81/12/530128112.db2.gz YEXFUOFSLWMGGB-UHFFFAOYSA-N 1 2 376.479 -1.729 20 0 GAADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000459891183 530128154 /nfs/dbraw/zinc/12/81/54/530128154.db2.gz ZNRWEXDQQAOVPQ-CYBMUJFWSA-N 1 2 376.479 -1.683 20 0 GAADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000459891184 530128504 /nfs/dbraw/zinc/12/85/04/530128504.db2.gz ZNRWEXDQQAOVPQ-ZDUSSCGKSA-N 1 2 376.479 -1.683 20 0 GAADLO CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000459908696 1074321727 /nfs/dbraw/zinc/32/17/27/1074321727.db2.gz ANFIVTZIFYKOPC-UHFFFAOYSA-N 1 2 383.493 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/nfs/dbraw/zinc/12/85/29/530128529.db2.gz QAYOCEKCMYRDBP-ZDUSSCGKSA-N 1 2 376.479 -1.995 20 0 GAADLO CCCN(CC)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000459923707 1074320295 /nfs/dbraw/zinc/32/02/95/1074320295.db2.gz RJULVDIIKAPHDQ-UHFFFAOYSA-N 1 2 389.522 -1.119 20 0 GAADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000459923805 530128468 /nfs/dbraw/zinc/12/84/68/530128468.db2.gz RUNVVICRSSMYOI-UHFFFAOYSA-N 1 2 376.479 -1.729 20 0 GAADLO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000459924872 1074320523 /nfs/dbraw/zinc/32/05/23/1074320523.db2.gz TXDJJHMRHGPZHA-HNNXBMFYSA-N 1 2 399.492 -2.188 20 0 GAADLO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000459924872 1074320515 /nfs/dbraw/zinc/32/05/15/1074320515.db2.gz TXDJJHMRHGPZHA-HNNXBMFYSA-N 1 2 399.492 -2.188 20 0 GAADLO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000459925000 1074320395 /nfs/dbraw/zinc/32/03/95/1074320395.db2.gz TXDJJHMRHGPZHA-OAHLLOKOSA-N 1 2 399.492 -2.188 20 0 GAADLO CCOCCN1CCN(C(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000459925000 1074320387 /nfs/dbraw/zinc/32/03/87/1074320387.db2.gz TXDJJHMRHGPZHA-OAHLLOKOSA-N 1 2 399.492 -2.188 20 0 GAADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000459926558 1074322431 /nfs/dbraw/zinc/32/24/31/1074322431.db2.gz VGOAYBHVGPCQMD-AWEZNQCLSA-N 1 2 390.506 -1.293 20 0 GAADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000459926565 1074322507 /nfs/dbraw/zinc/32/25/07/1074322507.db2.gz VGOAYBHVGPCQMD-CQSZACIVSA-N 1 2 390.506 -1.293 20 0 GAADLO COCC(=O)N1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459926732 1074320862 /nfs/dbraw/zinc/32/08/62/1074320862.db2.gz GWQQOCROOVYACQ-GASCZTMLSA-N 1 2 384.477 -1.129 20 0 GAADLO COCC(=O)N1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459926732 1074320855 /nfs/dbraw/zinc/32/08/55/1074320855.db2.gz GWQQOCROOVYACQ-GASCZTMLSA-N 1 2 384.477 -1.129 20 0 GAADLO 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ZINC000459930937 1074323416 /nfs/dbraw/zinc/32/34/16/1074323416.db2.gz ASCURXIGVVCAAB-CVEARBPZSA-N 1 2 398.504 -1.003 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000459930955 1074323313 /nfs/dbraw/zinc/32/33/13/1074323313.db2.gz ASCURXIGVVCAAB-HOTGVXAUSA-N 1 2 398.504 -1.003 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000459930955 1074323309 /nfs/dbraw/zinc/32/33/09/1074323309.db2.gz ASCURXIGVVCAAB-HOTGVXAUSA-N 1 2 398.504 -1.003 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000459930959 1074323386 /nfs/dbraw/zinc/32/33/86/1074323386.db2.gz ASCURXIGVVCAAB-HZPDHXFCSA-N 1 2 398.504 -1.003 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000459930959 1074323377 /nfs/dbraw/zinc/32/33/77/1074323377.db2.gz ASCURXIGVVCAAB-HZPDHXFCSA-N 1 2 398.504 -1.003 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000459930962 1074323441 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1074462053 /nfs/dbraw/zinc/46/20/53/1074462053.db2.gz FETQNFNUYJMPLB-TXEJJXNPSA-N 1 2 390.448 -2.163 20 0 GAADLO CN1C[C@H](Nc2nc(N[C@@H]3CC(=O)N(C)C3)[nH+]c(N3CCOCC3)n2)CC1=O ZINC000485953006 1074462179 /nfs/dbraw/zinc/46/21/79/1074462179.db2.gz FETQNFNUYJMPLB-VXGBXAGGSA-N 1 2 390.448 -2.163 20 0 GAADLO Cn1[nH]cnc1=NS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000487209648 530135607 /nfs/dbraw/zinc/13/56/07/530135607.db2.gz LFRADNCEHPULHI-UHFFFAOYSA-N 1 2 388.475 -1.122 20 0 GAADLO Cn1cc(S(=O)(=O)NCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000487288449 1074471312 /nfs/dbraw/zinc/47/13/12/1074471312.db2.gz BLTXMJMFAQOFBY-UHFFFAOYSA-N 1 2 397.461 -1.134 20 0 GAADLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000487404695 530136785 /nfs/dbraw/zinc/13/67/85/530136785.db2.gz YFOQUXHCKJETGV-CYBMUJFWSA-N 1 2 384.524 -1.491 20 0 GAADLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000487404695 530136783 /nfs/dbraw/zinc/13/67/83/530136783.db2.gz 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SJMUNOUKQFDIFW-GFCCVEGCSA-N 1 2 399.539 -2.111 20 0 GAADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)S(C)(=O)=O ZINC000500220578 530138562 /nfs/dbraw/zinc/13/85/62/530138562.db2.gz SJMUNOUKQFDIFW-GFCCVEGCSA-N 1 2 399.539 -2.111 20 0 GAADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)S(C)(=O)=O ZINC000500220579 530138651 /nfs/dbraw/zinc/13/86/51/530138651.db2.gz SJMUNOUKQFDIFW-LBPRGKRZSA-N 1 2 399.539 -2.111 20 0 GAADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1)S(C)(=O)=O ZINC000500220579 530138648 /nfs/dbraw/zinc/13/86/48/530138648.db2.gz SJMUNOUKQFDIFW-LBPRGKRZSA-N 1 2 399.539 -2.111 20 0 GAADLO CC(C)(CNC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)[NH+]1CCOCC1 ZINC000500228530 1073882591 /nfs/dbraw/zinc/88/25/91/1073882591.db2.gz DCDNRASHYUKTJN-AWEZNQCLSA-N 1 2 391.538 -1.282 20 0 GAADLO CC(C)(CNC(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1)[NH+]1CCOCC1 ZINC000500228533 1073882876 /nfs/dbraw/zinc/88/28/76/1073882876.db2.gz DCDNRASHYUKTJN-CQSZACIVSA-N 1 2 391.538 -1.282 20 0 GAADLO CC(C)NC(=O)CNc1nc(NCC(=O)NC(C)C)[nH+]c(N2CCOCC2)n1 ZINC000500250977 1073882946 /nfs/dbraw/zinc/88/29/46/1073882946.db2.gz FLTSGZRJIQMTCY-UHFFFAOYSA-N 1 2 394.480 -1.575 20 0 GAADLO CC(C)NC(=O)CNc1nc(N2CCOCC2)nc(NCC(=O)NC(C)C)[nH+]1 ZINC000500250977 1073882932 /nfs/dbraw/zinc/88/29/32/1073882932.db2.gz FLTSGZRJIQMTCY-UHFFFAOYSA-N 1 2 394.480 -1.575 20 0 GAADLO CNC(=O)CCN(C)c1nc(N(C)CCC(=O)NC)[nH+]c(N2CCOCC2)n1 ZINC000500253756 1073882828 /nfs/dbraw/zinc/88/28/28/1073882828.db2.gz OTSCRURQGPVWRO-UHFFFAOYSA-N 1 2 394.480 -1.147 20 0 GAADLO CNC(=O)CCN(C)c1nc(N2CCOCC2)nc(N(C)CCC(=O)NC)[nH+]1 ZINC000500253756 1073882821 /nfs/dbraw/zinc/88/28/21/1073882821.db2.gz OTSCRURQGPVWRO-UHFFFAOYSA-N 1 2 394.480 -1.147 20 0 GAADLO CCNC(=O)[C@H](C)Nc1nc(N[C@@H](C)C(=O)NCC)[nH+]c(N2CCOCC2)n1 ZINC000500255241 1073882549 /nfs/dbraw/zinc/88/25/49/1073882549.db2.gz VOSZVZCJMVLKTK-RYUDHWBXSA-N 1 2 394.480 -1.575 20 0 GAADLO CCNC(=O)[C@H](C)Nc1nc(N2CCOCC2)nc(N[C@@H](C)C(=O)NCC)[nH+]1 ZINC000500255241 1073882537 /nfs/dbraw/zinc/88/25/37/1073882537.db2.gz VOSZVZCJMVLKTK-RYUDHWBXSA-N 1 2 394.480 -1.575 20 0 GAADLO CCNC(=O)[C@@H](C)Nc1nc(N[C@H](C)C(=O)NCC)[nH+]c(N2CCOCC2)n1 ZINC000500255244 1073882780 /nfs/dbraw/zinc/88/27/80/1073882780.db2.gz VOSZVZCJMVLKTK-VXGBXAGGSA-N 1 2 394.480 -1.575 20 0 GAADLO CCNC(=O)[C@@H](C)Nc1nc(N2CCOCC2)nc(N[C@H](C)C(=O)NCC)[nH+]1 ZINC000500255244 1073882767 /nfs/dbraw/zinc/88/27/67/1073882767.db2.gz VOSZVZCJMVLKTK-VXGBXAGGSA-N 1 2 394.480 -1.575 20 0 GAADLO Cc1noc(CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000500277019 1073883861 /nfs/dbraw/zinc/88/38/61/1073883861.db2.gz CZSRMVPAYOMQCU-UHFFFAOYSA-N 1 2 388.432 -1.057 20 0 GAADLO O=C(CNc1nc(NCC(=O)NC2CC2)[nH+]c(N2CCOCC2)n1)NC1CC1 ZINC000500288602 1073884214 /nfs/dbraw/zinc/88/42/14/1073884214.db2.gz FKANGAJMYOPODC-UHFFFAOYSA-N 1 2 390.448 -2.067 20 0 GAADLO O=C(CNc1nc(N2CCOCC2)nc(NCC(=O)NC2CC2)[nH+]1)NC1CC1 ZINC000500288602 1073884199 /nfs/dbraw/zinc/88/41/99/1073884199.db2.gz FKANGAJMYOPODC-UHFFFAOYSA-N 1 2 390.448 -2.067 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 ZINC000500292426 1073884244 /nfs/dbraw/zinc/88/42/44/1073884244.db2.gz ZTKHBQKYIDESKO-UHFFFAOYSA-N 1 2 398.431 -1.190 20 0 GAADLO COC(=O)C1CC[NH+](CCCNS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000500351845 530138774 /nfs/dbraw/zinc/13/87/74/530138774.db2.gz CVPBSRMVFPYXRW-UHFFFAOYSA-N 1 2 397.519 -1.174 20 0 GAADLO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCS(=O)(=O)CC1 ZINC000500381139 530138502 /nfs/dbraw/zinc/13/85/02/530138502.db2.gz PXWMPEABPNGMGD-UHFFFAOYSA-N 1 2 390.487 -1.017 20 0 GAADLO NC(=O)c1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC000500571207 1073957878 /nfs/dbraw/zinc/95/78/78/1073957878.db2.gz DHVJDMWOMYJTMQ-GFCCVEGCSA-N 1 2 391.432 -2.059 20 0 GAADLO NC(=O)c1cn(C2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)nn1 ZINC000500571208 1073957850 /nfs/dbraw/zinc/95/78/50/1073957850.db2.gz DHVJDMWOMYJTMQ-LBPRGKRZSA-N 1 2 391.432 -2.059 20 0 GAADLO O=C(NCCN1C(=O)CNC1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000500832784 1073971297 /nfs/dbraw/zinc/97/12/97/1073971297.db2.gz RGPRFYIMYPULNO-UHFFFAOYSA-N 1 2 376.421 -1.550 20 0 GAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000500906747 530139315 /nfs/dbraw/zinc/13/93/15/530139315.db2.gz LCQLMGVYODGXPO-UHFFFAOYSA-N 1 2 380.536 -1.062 20 0 GAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000500906747 530139311 /nfs/dbraw/zinc/13/93/11/530139311.db2.gz LCQLMGVYODGXPO-UHFFFAOYSA-N 1 2 380.536 -1.062 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000501041723 1074004764 /nfs/dbraw/zinc/00/47/64/1074004764.db2.gz RTELVHRGKCGYGD-KBPBESRZSA-N 1 2 386.449 -1.515 20 0 GAADLO COC(=O)CCN1CC[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000501041724 1074004846 /nfs/dbraw/zinc/00/48/46/1074004846.db2.gz RTELVHRGKCGYGD-KGLIPLIRSA-N 1 2 386.449 -1.515 20 0 GAADLO COC(=O)CCN1CC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000501041725 1074005136 /nfs/dbraw/zinc/00/51/36/1074005136.db2.gz RTELVHRGKCGYGD-UONOGXRCSA-N 1 2 386.449 -1.515 20 0 GAADLO COC(=O)CCN1CC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000501041726 1074004862 /nfs/dbraw/zinc/00/48/62/1074004862.db2.gz RTELVHRGKCGYGD-ZIAGYGMSSA-N 1 2 386.449 -1.515 20 0 GAADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000501800451 1074023323 /nfs/dbraw/zinc/02/33/23/1074023323.db2.gz UHVNNOYLGRCETA-AAEUAGOBSA-N 1 2 390.462 -1.232 20 0 GAADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000501800452 1074023232 /nfs/dbraw/zinc/02/32/32/1074023232.db2.gz UHVNNOYLGRCETA-WCQYABFASA-N 1 2 390.462 -1.232 20 0 GAADLO COC(=O)c1cnc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000502100101 1074024517 /nfs/dbraw/zinc/02/45/17/1074024517.db2.gz VHAAXKXJKQQPLT-GFCCVEGCSA-N 1 2 377.401 -1.074 20 0 GAADLO COC(=O)c1cnc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000502100102 1074024637 /nfs/dbraw/zinc/02/46/37/1074024637.db2.gz VHAAXKXJKQQPLT-LBPRGKRZSA-N 1 2 377.401 -1.074 20 0 GAADLO Cc1c[nH+]c(N2CCN(C(=O)CO)CC2)nc1N1CCN(C(=O)CO)CC1 ZINC000502180656 1074025028 /nfs/dbraw/zinc/02/50/28/1074025028.db2.gz BTQXYEXOVUIEQH-UHFFFAOYSA-N 1 2 378.433 -1.933 20 0 GAADLO CNc1nc(N2CCN(C(=O)CO)CC2)[nH+]c(N2CCN(C(=O)CO)CC2)n1 ZINC000502186211 1074024884 /nfs/dbraw/zinc/02/48/84/1074024884.db2.gz YLDLLKPFTKJEPO-UHFFFAOYSA-N 1 2 394.436 -3.383 20 0 GAADLO NC(=O)NC1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000502205628 1074024928 /nfs/dbraw/zinc/02/49/28/1074024928.db2.gz DKXJXOKBFNBXKJ-UHFFFAOYSA-N 1 2 396.473 -1.150 20 0 GAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CCO1 ZINC000502253244 1074026136 /nfs/dbraw/zinc/02/61/36/1074026136.db2.gz LLORGLHFXRUCIB-HZSPNIEDSA-N 1 2 395.460 -2.100 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CCO1 ZINC000502253244 1074026125 /nfs/dbraw/zinc/02/61/25/1074026125.db2.gz LLORGLHFXRUCIB-HZSPNIEDSA-N 1 2 395.460 -2.100 20 0 GAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CCO1 ZINC000502253252 1074026310 /nfs/dbraw/zinc/02/63/10/1074026310.db2.gz LLORGLHFXRUCIB-MCIONIFRSA-N 1 2 395.460 -2.100 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CCO1 ZINC000502253252 1074026299 /nfs/dbraw/zinc/02/62/99/1074026299.db2.gz LLORGLHFXRUCIB-MCIONIFRSA-N 1 2 395.460 -2.100 20 0 GAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CCO1 ZINC000502253254 1074026100 /nfs/dbraw/zinc/02/61/00/1074026100.db2.gz LLORGLHFXRUCIB-MGPQQGTHSA-N 1 2 395.460 -2.100 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CCO1 ZINC000502253254 1074026091 /nfs/dbraw/zinc/02/60/91/1074026091.db2.gz LLORGLHFXRUCIB-MGPQQGTHSA-N 1 2 395.460 -2.100 20 0 GAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CCO1 ZINC000502253256 1074026238 /nfs/dbraw/zinc/02/62/38/1074026238.db2.gz LLORGLHFXRUCIB-RDBSUJKOSA-N 1 2 395.460 -2.100 20 0 GAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CCO1 ZINC000502253256 1074026230 /nfs/dbraw/zinc/02/62/30/1074026230.db2.gz LLORGLHFXRUCIB-RDBSUJKOSA-N 1 2 395.460 -2.100 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502282011 1074026615 /nfs/dbraw/zinc/02/66/15/1074026615.db2.gz QNMCVVCIXGZGDY-KKUMJFAQSA-N 1 2 382.461 -1.593 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502282034 1074026706 /nfs/dbraw/zinc/02/67/06/1074026706.db2.gz QNMCVVCIXGZGDY-RRFJBIMHSA-N 1 2 382.461 -1.593 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502282036 1074026657 /nfs/dbraw/zinc/02/66/57/1074026657.db2.gz QNMCVVCIXGZGDY-SOUVJXGZSA-N 1 2 382.461 -1.593 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502282038 1074026788 /nfs/dbraw/zinc/02/67/88/1074026788.db2.gz QNMCVVCIXGZGDY-ZNMIVQPWSA-N 1 2 382.461 -1.593 20 0 GAADLO 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1074252071 /nfs/dbraw/zinc/25/20/71/1074252071.db2.gz SWHLTOSZZPPYTO-CYBMUJFWSA-N 1 2 376.461 -1.209 20 0 GAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000525800864 1074252040 /nfs/dbraw/zinc/25/20/40/1074252040.db2.gz SWHLTOSZZPPYTO-ZDUSSCGKSA-N 1 2 376.461 -1.209 20 0 GAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000525969531 1074253324 /nfs/dbraw/zinc/25/33/24/1074253324.db2.gz JJVWIQKPWLOUCU-CYBMUJFWSA-N 1 2 395.464 -1.621 20 0 GAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000525969531 1074253321 /nfs/dbraw/zinc/25/33/21/1074253321.db2.gz JJVWIQKPWLOUCU-CYBMUJFWSA-N 1 2 395.464 -1.621 20 0 GAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000525969532 1074253188 /nfs/dbraw/zinc/25/31/88/1074253188.db2.gz JJVWIQKPWLOUCU-ZDUSSCGKSA-N 1 2 395.464 -1.621 20 0 GAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000525969532 1074253178 /nfs/dbraw/zinc/25/31/78/1074253178.db2.gz 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/nfs/dbraw/zinc/64/69/70/1074646970.db2.gz WBAKBWRTHSNQBT-MRXNPFEDSA-N 1 2 392.460 -1.303 20 0 GAADLO O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542599915 1074648263 /nfs/dbraw/zinc/64/82/63/1074648263.db2.gz HYYFQOVECVWOMY-UHFFFAOYSA-N 1 2 389.412 -1.187 20 0 GAADLO CCN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000542641092 1074881910 /nfs/dbraw/zinc/88/19/10/1074881910.db2.gz BICYQJJESYGESS-UHFFFAOYSA-N 1 2 378.433 -1.156 20 0 GAADLO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000542848732 1074789090 /nfs/dbraw/zinc/78/90/90/1074789090.db2.gz BWOAIJHOCWDNBR-DZGCQCFKSA-N 1 2 398.485 -1.203 20 0 GAADLO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000542848732 1074789083 /nfs/dbraw/zinc/78/90/83/1074789083.db2.gz BWOAIJHOCWDNBR-DZGCQCFKSA-N 1 2 398.485 -1.203 20 0 GAADLO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000542848733 1074789343 /nfs/dbraw/zinc/78/93/43/1074789343.db2.gz 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530154201 /nfs/dbraw/zinc/15/42/01/530154201.db2.gz OTKLPROABDEEGT-CYBMUJFWSA-N 1 2 378.495 -1.389 20 0 GAADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000556110700 530154485 /nfs/dbraw/zinc/15/44/85/530154485.db2.gz OTKLPROABDEEGT-ZDUSSCGKSA-N 1 2 378.495 -1.389 20 0 GAADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000556111212 530154440 /nfs/dbraw/zinc/15/44/40/530154440.db2.gz ZYURTXLLAFNCMW-CYBMUJFWSA-N 1 2 376.479 -1.683 20 0 GAADLO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000556111213 530154082 /nfs/dbraw/zinc/15/40/82/530154082.db2.gz ZYURTXLLAFNCMW-ZDUSSCGKSA-N 1 2 376.479 -1.683 20 0 GAADLO CN(CCO)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556173184 1074659457 /nfs/dbraw/zinc/65/94/57/1074659457.db2.gz OATARZHBMFHCMT-UHFFFAOYSA-N 1 2 399.473 -1.900 20 0 GAADLO CNC(=O)CN1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556187448 1074659375 /nfs/dbraw/zinc/65/93/75/1074659375.db2.gz AOPRFJFOUPERML-AWEZNQCLSA-N 1 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Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cnn1C ZINC000556296386 1074661128 /nfs/dbraw/zinc/66/11/28/1074661128.db2.gz DDVOCODPFGEBIL-AAEUAGOBSA-N 1 2 380.449 -1.450 20 0 GAADLO Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cnn1C ZINC000556296386 1074661124 /nfs/dbraw/zinc/66/11/24/1074661124.db2.gz DDVOCODPFGEBIL-AAEUAGOBSA-N 1 2 380.449 -1.450 20 0 GAADLO Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cnn1C ZINC000556296387 1074661157 /nfs/dbraw/zinc/66/11/57/1074661157.db2.gz DDVOCODPFGEBIL-DGCLKSJQSA-N 1 2 380.449 -1.450 20 0 GAADLO Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cnn1C ZINC000556296387 1074661154 /nfs/dbraw/zinc/66/11/54/1074661154.db2.gz DDVOCODPFGEBIL-DGCLKSJQSA-N 1 2 380.449 -1.450 20 0 GAADLO Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cnn1C ZINC000556296388 1074661027 /nfs/dbraw/zinc/66/10/27/1074661027.db2.gz DDVOCODPFGEBIL-WCQYABFASA-N 1 2 380.449 -1.450 20 0 GAADLO Cc1c([C@H](C)NC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cnn1C ZINC000556296388 1074661021 /nfs/dbraw/zinc/66/10/21/1074661021.db2.gz DDVOCODPFGEBIL-WCQYABFASA-N 1 2 380.449 -1.450 20 0 GAADLO Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cnn1C ZINC000556296389 1074661194 /nfs/dbraw/zinc/66/11/94/1074661194.db2.gz DDVOCODPFGEBIL-YPMHNXCESA-N 1 2 380.449 -1.450 20 0 GAADLO Cc1c([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cnn1C ZINC000556296389 1074661189 /nfs/dbraw/zinc/66/11/89/1074661189.db2.gz DDVOCODPFGEBIL-YPMHNXCESA-N 1 2 380.449 -1.450 20 0 GAADLO CCN(CCCNC(=O)C(=O)N1CC[NH+](CCOC)CC1)S(C)(=O)=O ZINC000556650606 530074257 /nfs/dbraw/zinc/07/42/57/530074257.db2.gz UXWOTTLFKXVQME-UHFFFAOYSA-N 1 2 378.495 -1.435 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000556791943 1074670817 /nfs/dbraw/zinc/67/08/17/1074670817.db2.gz UENBRZANIZZLPY-AWEZNQCLSA-N 1 2 390.506 -1.293 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000556791944 1074670732 /nfs/dbraw/zinc/67/07/32/1074670732.db2.gz UENBRZANIZZLPY-CQSZACIVSA-N 1 2 390.506 -1.293 20 0 GAADLO C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000557214300 1075692001 /nfs/dbraw/zinc/69/20/01/1075692001.db2.gz AUPKHUYVSWASDN-GFCCVEGCSA-N 1 2 398.431 -1.192 20 0 GAADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000557214304 1075691963 /nfs/dbraw/zinc/69/19/63/1075691963.db2.gz AUPKHUYVSWASDN-LBPRGKRZSA-N 1 2 398.431 -1.192 20 0 GAADLO O=C(C(=O)N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1)N1CCOCC1 ZINC000557457309 1075694808 /nfs/dbraw/zinc/69/48/08/1075694808.db2.gz NNBVDWLGSKOUMH-AWEZNQCLSA-N 1 2 375.429 -1.025 20 0 GAADLO O=C(C(=O)N1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1)N1CCOCC1 ZINC000557457314 1075694727 /nfs/dbraw/zinc/69/47/27/1075694727.db2.gz NNBVDWLGSKOUMH-CQSZACIVSA-N 1 2 375.429 -1.025 20 0 GAADLO NS(=O)(=O)CCCCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000557615338 1073993788 /nfs/dbraw/zinc/99/37/88/1073993788.db2.gz 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530075559 /nfs/dbraw/zinc/07/55/59/530075559.db2.gz HJDFCCJQVFNBPQ-CHWSQXEVSA-N 1 2 377.463 -1.616 20 0 GAADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000558588508 530075558 /nfs/dbraw/zinc/07/55/58/530075558.db2.gz HJDFCCJQVFNBPQ-CHWSQXEVSA-N 1 2 377.463 -1.616 20 0 GAADLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000558588509 530075756 /nfs/dbraw/zinc/07/57/56/530075756.db2.gz HJDFCCJQVFNBPQ-OLZOCXBDSA-N 1 2 377.463 -1.616 20 0 GAADLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000558588509 530075753 /nfs/dbraw/zinc/07/57/53/530075753.db2.gz HJDFCCJQVFNBPQ-OLZOCXBDSA-N 1 2 377.463 -1.616 20 0 GAADLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000558588510 530075536 /nfs/dbraw/zinc/07/55/36/530075536.db2.gz HJDFCCJQVFNBPQ-QWHCGFSZSA-N 1 2 377.463 -1.616 20 0 GAADLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000558588510 530075534 /nfs/dbraw/zinc/07/55/34/530075534.db2.gz 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530099506 /nfs/dbraw/zinc/09/95/06/530099506.db2.gz RDCZFQAQYPMEFZ-CQSZACIVSA-N 1 2 376.523 -1.026 20 0 GAADLO COCC1(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000583718861 530107830 /nfs/dbraw/zinc/10/78/30/530107830.db2.gz IKHCMROPTWOARD-UHFFFAOYSA-N 1 2 396.535 -1.395 20 0 GAADLO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000583750344 530107623 /nfs/dbraw/zinc/10/76/23/530107623.db2.gz KSRWJPQGTIFAPL-KBPBESRZSA-N 1 2 375.495 -1.017 20 0 GAADLO C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000583750345 530107739 /nfs/dbraw/zinc/10/77/39/530107739.db2.gz KSRWJPQGTIFAPL-KGLIPLIRSA-N 1 2 375.495 -1.017 20 0 GAADLO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000583750346 530107647 /nfs/dbraw/zinc/10/76/47/530107647.db2.gz KSRWJPQGTIFAPL-UONOGXRCSA-N 1 2 375.495 -1.017 20 0 GAADLO C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000583750347 530107855 /nfs/dbraw/zinc/10/78/55/530107855.db2.gz 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/nfs/dbraw/zinc/85/32/25/1073853225.db2.gz AQENCFXBJXYGOD-PBHICJAKSA-N 1 2 387.502 -1.128 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000584529812 1073853472 /nfs/dbraw/zinc/85/34/72/1073853472.db2.gz AQENCFXBJXYGOD-RHSMWYFYSA-N 1 2 387.502 -1.128 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000584529813 1073853511 /nfs/dbraw/zinc/85/35/11/1073853511.db2.gz AQENCFXBJXYGOD-WMLDXEAASA-N 1 2 387.502 -1.128 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000584529814 1073853269 /nfs/dbraw/zinc/85/32/69/1073853269.db2.gz AQENCFXBJXYGOD-YOEHRIQHSA-N 1 2 387.502 -1.128 20 0 GAADLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1O ZINC000584652838 530109088 /nfs/dbraw/zinc/10/90/88/530109088.db2.gz UTIKHZBLVICQMI-GHMZBOCLSA-N 1 2 376.439 -2.175 20 0 GAADLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1O ZINC000584652838 530109087 /nfs/dbraw/zinc/10/90/87/530109087.db2.gz UTIKHZBLVICQMI-GHMZBOCLSA-N 1 2 376.439 -2.175 20 0 GAADLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1O ZINC000584652839 530109125 /nfs/dbraw/zinc/10/91/25/530109125.db2.gz UTIKHZBLVICQMI-WDEREUQCSA-N 1 2 376.439 -2.175 20 0 GAADLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H]1O ZINC000584652839 530109123 /nfs/dbraw/zinc/10/91/23/530109123.db2.gz UTIKHZBLVICQMI-WDEREUQCSA-N 1 2 376.439 -2.175 20 0 GAADLO O=C(NCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnccn1 ZINC000588219844 1074510362 /nfs/dbraw/zinc/51/03/62/1074510362.db2.gz DSPSEHFBHORCMB-AWEZNQCLSA-N 1 2 390.444 -1.497 20 0 GAADLO O=C(NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnccn1 ZINC000588219845 1073787413 /nfs/dbraw/zinc/78/74/13/1073787413.db2.gz DSPSEHFBHORCMB-CQSZACIVSA-N 1 2 390.444 -1.497 20 0 GAADLO CC(=O)NC(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000588706308 530076298 /nfs/dbraw/zinc/07/62/98/530076298.db2.gz QHTOCAWDOOJATQ-UHFFFAOYSA-N 1 2 375.495 -1.463 20 0 GAADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000588863206 1074512453 /nfs/dbraw/zinc/51/24/53/1074512453.db2.gz LZSOHBUHZMLXJH-HNNXBMFYSA-N 1 2 381.477 -1.671 20 0 GAADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000588863206 1074512448 /nfs/dbraw/zinc/51/24/48/1074512448.db2.gz LZSOHBUHZMLXJH-HNNXBMFYSA-N 1 2 381.477 -1.671 20 0 GAADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000588863207 1074512658 /nfs/dbraw/zinc/51/26/58/1074512658.db2.gz LZSOHBUHZMLXJH-OAHLLOKOSA-N 1 2 381.477 -1.671 20 0 GAADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000588863207 1074512650 /nfs/dbraw/zinc/51/26/50/1074512650.db2.gz LZSOHBUHZMLXJH-OAHLLOKOSA-N 1 2 381.477 -1.671 20 0 GAADLO CC1(C)C[N@@H+](CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000589250980 1074513668 /nfs/dbraw/zinc/51/36/68/1074513668.db2.gz URIMHICTXAKZDE-UHFFFAOYSA-N 1 2 391.538 -1.026 20 0 GAADLO CC1(C)C[N@H+](CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000589250980 1074513664 /nfs/dbraw/zinc/51/36/64/1074513664.db2.gz URIMHICTXAKZDE-UHFFFAOYSA-N 1 2 391.538 -1.026 20 0 GAADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000590637542 1074516813 /nfs/dbraw/zinc/51/68/13/1074516813.db2.gz PYJTYEVHDMCIPQ-UHFFFAOYSA-N 1 2 391.538 -1.026 20 0 GAADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000590637542 1074516812 /nfs/dbraw/zinc/51/68/12/1074516812.db2.gz PYJTYEVHDMCIPQ-UHFFFAOYSA-N 1 2 391.538 -1.026 20 0 GAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590700817 1074517309 /nfs/dbraw/zinc/51/73/09/1074517309.db2.gz ZXTDDKDIHKLYKT-HNNXBMFYSA-N 1 2 381.477 -1.216 20 0 GAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590700817 1074517304 /nfs/dbraw/zinc/51/73/04/1074517304.db2.gz ZXTDDKDIHKLYKT-HNNXBMFYSA-N 1 2 381.477 -1.216 20 0 GAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590700819 1074517195 /nfs/dbraw/zinc/51/71/95/1074517195.db2.gz ZXTDDKDIHKLYKT-OAHLLOKOSA-N 1 2 381.477 -1.216 20 0 GAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 ZINC000590700819 1074517188 /nfs/dbraw/zinc/51/71/88/1074517188.db2.gz ZXTDDKDIHKLYKT-OAHLLOKOSA-N 1 2 381.477 -1.216 20 0 GAADLO COC(=O)CCN1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)[C@@H](C)C1 ZINC000590997683 1074518183 /nfs/dbraw/zinc/51/81/83/1074518183.db2.gz SBXAOOHIBPIHJB-HNNXBMFYSA-N 1 2 398.504 -1.003 20 0 GAADLO COC(=O)CCN1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)[C@@H](C)C1 ZINC000590997683 1074518174 /nfs/dbraw/zinc/51/81/74/1074518174.db2.gz SBXAOOHIBPIHJB-HNNXBMFYSA-N 1 2 398.504 -1.003 20 0 GAADLO COC(=O)CCN1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)[C@H](C)C1 ZINC000590997684 1074518327 /nfs/dbraw/zinc/51/83/27/1074518327.db2.gz SBXAOOHIBPIHJB-OAHLLOKOSA-N 1 2 398.504 -1.003 20 0 GAADLO COC(=O)CCN1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)[C@H](C)C1 ZINC000590997684 1074518323 /nfs/dbraw/zinc/51/83/23/1074518323.db2.gz SBXAOOHIBPIHJB-OAHLLOKOSA-N 1 2 398.504 -1.003 20 0 GAADLO CCNC(=O)CCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000591097492 1074518894 /nfs/dbraw/zinc/51/88/94/1074518894.db2.gz JFPBTJYGNRWKKD-UHFFFAOYSA-N 1 2 389.522 -1.071 20 0 GAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000591227076 1074518661 /nfs/dbraw/zinc/51/86/61/1074518661.db2.gz RARRQLFZIGHXDB-GFCCVEGCSA-N 1 2 378.433 -1.339 20 0 GAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000591227076 1074518650 /nfs/dbraw/zinc/51/86/50/1074518650.db2.gz RARRQLFZIGHXDB-GFCCVEGCSA-N 1 2 378.433 -1.339 20 0 GAADLO C[C@H]1COCC[N@H+]1CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000591227077 1074518734 /nfs/dbraw/zinc/51/87/34/1074518734.db2.gz RARRQLFZIGHXDB-LBPRGKRZSA-N 1 2 378.433 -1.339 20 0 GAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000591227077 1074518726 /nfs/dbraw/zinc/51/87/26/1074518726.db2.gz RARRQLFZIGHXDB-LBPRGKRZSA-N 1 2 378.433 -1.339 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000591373415 530086001 /nfs/dbraw/zinc/08/60/01/530086001.db2.gz PMNIJENAOGWZQT-BETUJISGSA-N 1 2 384.524 -1.363 20 0 GAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@@H](C)O1 ZINC000591373416 530085843 /nfs/dbraw/zinc/08/58/43/530085843.db2.gz PMNIJENAOGWZQT-CHWSQXEVSA-N 1 2 384.524 -1.363 20 0 GAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000591373417 530085736 /nfs/dbraw/zinc/08/57/36/530085736.db2.gz PMNIJENAOGWZQT-STQMWFEESA-N 1 2 384.524 -1.363 20 0 GAADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CC1 ZINC000591469594 1074519844 /nfs/dbraw/zinc/51/98/44/1074519844.db2.gz NQBOHZFAEUHLBX-UHFFFAOYSA-N 1 2 388.494 -1.962 20 0 GAADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000591470576 1074519719 /nfs/dbraw/zinc/51/97/19/1074519719.db2.gz MIHGOWDSFNAKKY-INIZCTEOSA-N 1 2 395.504 -1.410 20 0 GAADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000591470576 1074519710 /nfs/dbraw/zinc/51/97/10/1074519710.db2.gz MIHGOWDSFNAKKY-INIZCTEOSA-N 1 2 395.504 -1.410 20 0 GAADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000591470577 1074519628 /nfs/dbraw/zinc/51/96/28/1074519628.db2.gz MIHGOWDSFNAKKY-MRXNPFEDSA-N 1 2 395.504 -1.410 20 0 GAADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000591470577 1074519618 /nfs/dbraw/zinc/51/96/18/1074519618.db2.gz MIHGOWDSFNAKKY-MRXNPFEDSA-N 1 2 395.504 -1.410 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000591558801 1074520579 /nfs/dbraw/zinc/52/05/79/1074520579.db2.gz DBAHHCMHQYJVHF-AWEZNQCLSA-N 1 2 395.460 -1.290 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000591558803 1074520564 /nfs/dbraw/zinc/52/05/64/1074520564.db2.gz DBAHHCMHQYJVHF-CQSZACIVSA-N 1 2 395.460 -1.290 20 0 GAADLO CN(CC[NH+]1CCOCC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584048 530085886 /nfs/dbraw/zinc/08/58/86/530085886.db2.gz JJXKJFGSCOGEBM-UHFFFAOYSA-N 1 2 377.511 -1.463 20 0 GAADLO C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591584053 1074520915 /nfs/dbraw/zinc/52/09/15/1074520915.db2.gz JQFRXBRNOUHFDL-CABCVRRESA-N 1 2 391.538 -1.028 20 0 GAADLO C[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591584054 1074520998 /nfs/dbraw/zinc/52/09/98/1074520998.db2.gz JQFRXBRNOUHFDL-GJZGRUSLSA-N 1 2 391.538 -1.028 20 0 GAADLO C[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591584055 1074520951 /nfs/dbraw/zinc/52/09/51/1074520951.db2.gz JQFRXBRNOUHFDL-HUUCEWRRSA-N 1 2 391.538 -1.028 20 0 GAADLO C[C@H]([C@H](C)NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000591584056 1074520870 /nfs/dbraw/zinc/52/08/70/1074520870.db2.gz JQFRXBRNOUHFDL-LSDHHAIUSA-N 1 2 391.538 -1.028 20 0 GAADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584337 530085976 /nfs/dbraw/zinc/08/59/76/530085976.db2.gz RYWAORXSXCDYOV-AWEZNQCLSA-N 1 2 377.511 -1.417 20 0 GAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584337 530085974 /nfs/dbraw/zinc/08/59/74/530085974.db2.gz RYWAORXSXCDYOV-AWEZNQCLSA-N 1 2 377.511 -1.417 20 0 GAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584338 530085713 /nfs/dbraw/zinc/08/57/13/530085713.db2.gz RYWAORXSXCDYOV-CQSZACIVSA-N 1 2 377.511 -1.417 20 0 GAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584338 530085711 /nfs/dbraw/zinc/08/57/11/530085711.db2.gz RYWAORXSXCDYOV-CQSZACIVSA-N 1 2 377.511 -1.417 20 0 GAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000591601336 1074520940 /nfs/dbraw/zinc/52/09/40/1074520940.db2.gz XYCULLREKGUVMP-HNNXBMFYSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000591601336 1074520936 /nfs/dbraw/zinc/52/09/36/1074520936.db2.gz XYCULLREKGUVMP-HNNXBMFYSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000591601341 1074520906 /nfs/dbraw/zinc/52/09/06/1074520906.db2.gz XYCULLREKGUVMP-OAHLLOKOSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000591601341 1074520901 /nfs/dbraw/zinc/52/09/01/1074520901.db2.gz XYCULLREKGUVMP-OAHLLOKOSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000591601848 1074520970 /nfs/dbraw/zinc/52/09/70/1074520970.db2.gz YGDHRGPYCUTJCI-INIZCTEOSA-N 1 2 383.493 -1.107 20 0 GAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000591601848 1074520965 /nfs/dbraw/zinc/52/09/65/1074520965.db2.gz YGDHRGPYCUTJCI-INIZCTEOSA-N 1 2 383.493 -1.107 20 0 GAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000591601849 1074521045 /nfs/dbraw/zinc/52/10/45/1074521045.db2.gz YGDHRGPYCUTJCI-MRXNPFEDSA-N 1 2 383.493 -1.107 20 0 GAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000591601849 1074521038 /nfs/dbraw/zinc/52/10/38/1074521038.db2.gz YGDHRGPYCUTJCI-MRXNPFEDSA-N 1 2 383.493 -1.107 20 0 GAADLO C[C@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591631779 1074521011 /nfs/dbraw/zinc/52/10/11/1074521011.db2.gz CAZVZZREZMAKNO-KBPBESRZSA-N 1 2 380.453 -1.364 20 0 GAADLO C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591631783 1074520926 /nfs/dbraw/zinc/52/09/26/1074520926.db2.gz CAZVZZREZMAKNO-KGLIPLIRSA-N 1 2 380.453 -1.364 20 0 GAADLO C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+]1CCOCC1 ZINC000591631784 1074521022 /nfs/dbraw/zinc/52/10/22/1074521022.db2.gz CAZVZZREZMAKNO-UONOGXRCSA-N 1 2 380.453 -1.364 20 0 GAADLO C[C@@H](NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591631785 1074520891 /nfs/dbraw/zinc/52/08/91/1074520891.db2.gz CAZVZZREZMAKNO-ZIAGYGMSSA-N 1 2 380.453 -1.364 20 0 GAADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000591872434 1074522373 /nfs/dbraw/zinc/52/23/73/1074522373.db2.gz ZUXRLGFHHAIAOB-CYBMUJFWSA-N 1 2 394.432 -0.897 20 0 GAADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000591872435 1074521852 /nfs/dbraw/zinc/52/18/52/1074521852.db2.gz ZUXRLGFHHAIAOB-ZDUSSCGKSA-N 1 2 394.432 -0.897 20 0 GAADLO COC(=O)c1nccnc1N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000591896429 1074522732 /nfs/dbraw/zinc/52/27/32/1074522732.db2.gz NZIFPSXNEWHEEY-UHFFFAOYSA-N 1 2 384.462 -1.123 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000592292427 1074878539 /nfs/dbraw/zinc/87/85/39/1074878539.db2.gz AACUCLFVKFWZBS-ZIAGYGMSSA-N 1 2 393.444 -0.579 20 0 GAADLO CNC(=O)C1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000592302532 1074527447 /nfs/dbraw/zinc/52/74/47/1074527447.db2.gz DPQQOLZFMBJVPP-UHFFFAOYSA-N 1 2 387.506 -1.461 20 0 GAADLO CC[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)OC ZINC000592312092 1074527826 /nfs/dbraw/zinc/52/78/26/1074527826.db2.gz YMRMUFYDEJWAOP-CYBMUJFWSA-N 1 2 381.433 -0.531 20 0 GAADLO CC[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)OC ZINC000592312093 1074527663 /nfs/dbraw/zinc/52/76/63/1074527663.db2.gz YMRMUFYDEJWAOP-ZDUSSCGKSA-N 1 2 381.433 -0.531 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)C[C@H]3CCOC3)CC2)CC1 ZINC000592445999 530086387 /nfs/dbraw/zinc/08/63/87/530086387.db2.gz YLRBZGNSCFKICT-AWEZNQCLSA-N 1 2 396.535 -1.538 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)CC1 ZINC000592446000 530086139 /nfs/dbraw/zinc/08/61/39/530086139.db2.gz YLRBZGNSCFKICT-CQSZACIVSA-N 1 2 396.535 -1.538 20 0 GAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000592558063 530086204 /nfs/dbraw/zinc/08/62/04/530086204.db2.gz VXOVAUOXZDHOBA-AWEZNQCLSA-N 1 2 376.527 -1.244 20 0 GAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000592558064 530086298 /nfs/dbraw/zinc/08/62/98/530086298.db2.gz VXOVAUOXZDHOBA-CQSZACIVSA-N 1 2 376.527 -1.244 20 0 GAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000592558901 1074529114 /nfs/dbraw/zinc/52/91/14/1074529114.db2.gz SFXMZQHKNSCVCW-AWEZNQCLSA-N 1 2 379.469 -1.837 20 0 GAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000592558915 1074529140 /nfs/dbraw/zinc/52/91/40/1074529140.db2.gz SFXMZQHKNSCVCW-CQSZACIVSA-N 1 2 379.469 -1.837 20 0 GAADLO COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnn1C ZINC000592891355 1074530648 /nfs/dbraw/zinc/53/06/48/1074530648.db2.gz MOCMHKWQOICUMH-BBRMVZONSA-N 1 2 393.444 -1.069 20 0 GAADLO COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnn1C ZINC000592891362 1074530633 /nfs/dbraw/zinc/53/06/33/1074530633.db2.gz MOCMHKWQOICUMH-CJNGLKHVSA-N 1 2 393.444 -1.069 20 0 GAADLO COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnn1C ZINC000592891363 1074530449 /nfs/dbraw/zinc/53/04/49/1074530449.db2.gz MOCMHKWQOICUMH-CZUORRHYSA-N 1 2 393.444 -1.069 20 0 GAADLO COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnn1C ZINC000592891364 1074530501 /nfs/dbraw/zinc/53/05/01/1074530501.db2.gz MOCMHKWQOICUMH-XJKSGUPXSA-N 1 2 393.444 -1.069 20 0 GAADLO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592928073 1074530701 /nfs/dbraw/zinc/53/07/01/1074530701.db2.gz MNDBOQWZXJIHQZ-KFWWJZLASA-N 1 2 383.445 -1.451 20 0 GAADLO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592928074 1074530586 /nfs/dbraw/zinc/53/05/86/1074530586.db2.gz MNDBOQWZXJIHQZ-RBSFLKMASA-N 1 2 383.445 -1.451 20 0 GAADLO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592928075 1074530557 /nfs/dbraw/zinc/53/05/57/1074530557.db2.gz MNDBOQWZXJIHQZ-RRFJBIMHSA-N 1 2 383.445 -1.451 20 0 GAADLO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000592928076 1074530600 /nfs/dbraw/zinc/53/06/00/1074530600.db2.gz MNDBOQWZXJIHQZ-ZNMIVQPWSA-N 1 2 383.445 -1.451 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C1CC1 ZINC000593744426 1074533554 /nfs/dbraw/zinc/53/35/54/1074533554.db2.gz MHAQBOQJFFXOQB-HRCADAONSA-N 1 2 397.472 -1.205 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C1CC1 ZINC000593744427 1074533654 /nfs/dbraw/zinc/53/36/54/1074533654.db2.gz MHAQBOQJFFXOQB-OWCLPIDISA-N 1 2 397.472 -1.205 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000593837596 1074534581 /nfs/dbraw/zinc/53/45/81/1074534581.db2.gz CRBOGAKKUHXBBG-KKUMJFAQSA-N 1 2 383.445 -1.044 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000593837597 1074534429 /nfs/dbraw/zinc/53/44/29/1074534429.db2.gz CRBOGAKKUHXBBG-ZNMIVQPWSA-N 1 2 383.445 -1.044 20 0 GAADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594312178 1074535510 /nfs/dbraw/zinc/53/55/10/1074535510.db2.gz NEUGLJRHCRKHEX-RWMBFGLXSA-N 1 2 396.448 -0.606 20 0 GAADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594312178 1074535506 /nfs/dbraw/zinc/53/55/06/1074535506.db2.gz NEUGLJRHCRKHEX-RWMBFGLXSA-N 1 2 396.448 -0.606 20 0 GAADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594312179 1074535649 /nfs/dbraw/zinc/53/56/49/1074535649.db2.gz NEUGLJRHCRKHEX-UPJWGTAASA-N 1 2 396.448 -0.606 20 0 GAADLO CCOC(=O)Cn1cnc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594312179 1074535641 /nfs/dbraw/zinc/53/56/41/1074535641.db2.gz NEUGLJRHCRKHEX-UPJWGTAASA-N 1 2 396.448 -0.606 20 0 GAADLO CCOC(=O)Cn1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000594405549 1074536600 /nfs/dbraw/zinc/53/66/00/1074536600.db2.gz LZPYPUWOHJUQRN-AWEZNQCLSA-N 1 2 393.444 -0.435 20 0 GAADLO CCOC(=O)Cn1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000594405550 1074536645 /nfs/dbraw/zinc/53/66/45/1074536645.db2.gz LZPYPUWOHJUQRN-CQSZACIVSA-N 1 2 393.444 -0.435 20 0 GAADLO COC(=O)C12CC(C1)CN2C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000595138981 1074540200 /nfs/dbraw/zinc/54/02/00/1074540200.db2.gz SEVDCVUFRUMQIT-UHFFFAOYSA-N 1 2 391.428 -0.682 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)[C@@H](C)C1 ZINC000595172002 1074540753 /nfs/dbraw/zinc/54/07/53/1074540753.db2.gz DTVVNNXKCQGVRP-JTQLQIEISA-N 1 2 397.457 -1.046 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)[C@@H](C)C1 ZINC000595172002 1074540747 /nfs/dbraw/zinc/54/07/47/1074540747.db2.gz DTVVNNXKCQGVRP-JTQLQIEISA-N 1 2 397.457 -1.046 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)[C@H](C)C1 ZINC000595172003 1074540264 /nfs/dbraw/zinc/54/02/64/1074540264.db2.gz DTVVNNXKCQGVRP-SNVBAGLBSA-N 1 2 397.457 -1.046 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)[C@H](C)C1 ZINC000595172003 1074540261 /nfs/dbraw/zinc/54/02/61/1074540261.db2.gz DTVVNNXKCQGVRP-SNVBAGLBSA-N 1 2 397.457 -1.046 20 0 GAADLO COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000595218770 1074540769 /nfs/dbraw/zinc/54/07/69/1074540769.db2.gz PORWEWBLTIPXQR-HDJSIYSDSA-N 1 2 393.444 -0.436 20 0 GAADLO COCCNC(=O)CN1CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595285031 1074544226 /nfs/dbraw/zinc/54/42/26/1074544226.db2.gz JBFVAGPMDBQDCJ-HNNXBMFYSA-N 1 2 384.477 -1.079 20 0 GAADLO COCCNC(=O)CN1CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595285037 1074544142 /nfs/dbraw/zinc/54/41/42/1074544142.db2.gz JBFVAGPMDBQDCJ-OAHLLOKOSA-N 1 2 384.477 -1.079 20 0 GAADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C1=O ZINC000595490994 530087149 /nfs/dbraw/zinc/08/71/49/530087149.db2.gz POFGZWHEORLODN-CYBMUJFWSA-N 1 2 376.479 -1.036 20 0 GAADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C1=O ZINC000595490994 530087147 /nfs/dbraw/zinc/08/71/47/530087147.db2.gz POFGZWHEORLODN-CYBMUJFWSA-N 1 2 376.479 -1.036 20 0 GAADLO COC(=O)CCN1CC[C@H]([N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C1=O ZINC000595490995 530087227 /nfs/dbraw/zinc/08/72/27/530087227.db2.gz POFGZWHEORLODN-ZDUSSCGKSA-N 1 2 376.479 -1.036 20 0 GAADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)C1=O ZINC000595490995 530087226 /nfs/dbraw/zinc/08/72/26/530087226.db2.gz POFGZWHEORLODN-ZDUSSCGKSA-N 1 2 376.479 -1.036 20 0 GAADLO COC(=O)[C@](C)(CO)NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000595530159 1074545061 /nfs/dbraw/zinc/54/50/61/1074545061.db2.gz VXLPJFGFEFCIMX-KRWDZBQOSA-N 1 2 391.432 -1.475 20 0 GAADLO COC(=O)[C@@](C)(CO)NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000595530163 1074545089 /nfs/dbraw/zinc/54/50/89/1074545089.db2.gz VXLPJFGFEFCIMX-QGZVFWFLSA-N 1 2 391.432 -1.475 20 0 GAADLO O=C(C[N@H+](CCOCCO)C1CCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595602511 530087199 /nfs/dbraw/zinc/08/71/99/530087199.db2.gz VUXFDKQFGPHZBW-GFCCVEGCSA-N 1 2 377.463 -1.137 20 0 GAADLO O=C(C[N@@H+](CCOCCO)C1CCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595602511 530087198 /nfs/dbraw/zinc/08/71/98/530087198.db2.gz VUXFDKQFGPHZBW-GFCCVEGCSA-N 1 2 377.463 -1.137 20 0 GAADLO O=C(C[N@H+](CCOCCO)C1CCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595602512 530087375 /nfs/dbraw/zinc/08/73/75/530087375.db2.gz VUXFDKQFGPHZBW-LBPRGKRZSA-N 1 2 377.463 -1.137 20 0 GAADLO O=C(C[N@@H+](CCOCCO)C1CCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595602512 530087374 /nfs/dbraw/zinc/08/73/74/530087374.db2.gz VUXFDKQFGPHZBW-LBPRGKRZSA-N 1 2 377.463 -1.137 20 0 GAADLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000595664654 1074545604 /nfs/dbraw/zinc/54/56/04/1074545604.db2.gz SQLVFKNKPCOCPN-GXFFZTMASA-N 1 2 382.417 -1.112 20 0 GAADLO CCOC(=O)[C@H](N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000595926478 530087105 /nfs/dbraw/zinc/08/71/05/530087105.db2.gz LENJXVHCGDRQGI-GFCCVEGCSA-N 1 2 377.467 -2.487 20 0 GAADLO CCOC(=O)[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000595926479 530087301 /nfs/dbraw/zinc/08/73/01/530087301.db2.gz LENJXVHCGDRQGI-LBPRGKRZSA-N 1 2 377.467 -2.487 20 0 GAADLO CCOC(=O)[C@@H](N)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595942480 1074546207 /nfs/dbraw/zinc/54/62/07/1074546207.db2.gz IIBZKYAMCLNWAE-AWEZNQCLSA-N 1 2 399.473 -1.460 20 0 GAADLO CCOC(=O)[C@H](N)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595942481 1074546643 /nfs/dbraw/zinc/54/66/43/1074546643.db2.gz IIBZKYAMCLNWAE-CQSZACIVSA-N 1 2 399.473 -1.460 20 0 GAADLO CCOC(=O)[C@@H](N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000595953756 1074546585 /nfs/dbraw/zinc/54/65/85/1074546585.db2.gz CWDBQLXMVLTADF-HNNXBMFYSA-N 1 2 378.433 -1.148 20 0 GAADLO CCOC(=O)[C@@H](N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000595953756 1074546581 /nfs/dbraw/zinc/54/65/81/1074546581.db2.gz CWDBQLXMVLTADF-HNNXBMFYSA-N 1 2 378.433 -1.148 20 0 GAADLO CCOC(=O)[C@H](N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000595953757 1074546537 /nfs/dbraw/zinc/54/65/37/1074546537.db2.gz CWDBQLXMVLTADF-OAHLLOKOSA-N 1 2 378.433 -1.148 20 0 GAADLO CCOC(=O)[C@H](N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000595953757 1074546534 /nfs/dbraw/zinc/54/65/34/1074546534.db2.gz CWDBQLXMVLTADF-OAHLLOKOSA-N 1 2 378.433 -1.148 20 0 GAADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596036729 1074872393 /nfs/dbraw/zinc/87/23/93/1074872393.db2.gz QAAFBKQBQMMAAL-HNNXBMFYSA-N 1 2 392.460 -0.719 20 0 GAADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596036732 1074872440 /nfs/dbraw/zinc/87/24/40/1074872440.db2.gz QAAFBKQBQMMAAL-OAHLLOKOSA-N 1 2 392.460 -0.719 20 0 GAADLO COC(=O)c1nccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000596073027 1074561170 /nfs/dbraw/zinc/56/11/70/1074561170.db2.gz CKQLOWGDCVCLJL-UHFFFAOYSA-N 1 2 384.462 -1.123 20 0 GAADLO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000596165610 1074888705 /nfs/dbraw/zinc/88/87/05/1074888705.db2.gz UQALFAMLUYZUOV-UHFFFAOYSA-N 1 2 397.461 -1.134 20 0 GAADLO CCN1CCN(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(=O)C1=O ZINC000596165814 1074881858 /nfs/dbraw/zinc/88/18/58/1074881858.db2.gz ZVFCFSFOMOCWFH-UHFFFAOYSA-N 1 2 378.433 -1.156 20 0 GAADLO CC(C)(C)OC(=O)Cn1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000596538746 1074561737 /nfs/dbraw/zinc/56/17/37/1074561737.db2.gz FHBOSCMWHDZOIY-UHFFFAOYSA-N 1 2 381.433 -0.700 20 0 GAADLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCNS(=O)(=O)N(C)C)C2)CC1 ZINC000596614421 530087690 /nfs/dbraw/zinc/08/76/90/530087690.db2.gz QVLHONVPLIBNBQ-AWEZNQCLSA-N 1 2 376.527 -1.196 20 0 GAADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCNS(=O)(=O)N(C)C)C2)CC1 ZINC000596614423 530087946 /nfs/dbraw/zinc/08/79/46/530087946.db2.gz QVLHONVPLIBNBQ-CQSZACIVSA-N 1 2 376.527 -1.196 20 0 GAADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000597617493 530088030 /nfs/dbraw/zinc/08/80/30/530088030.db2.gz OZFCAWCXYCYGLX-CHWSQXEVSA-N 1 2 383.536 -1.143 20 0 GAADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000597617496 530088254 /nfs/dbraw/zinc/08/82/54/530088254.db2.gz OZFCAWCXYCYGLX-OLZOCXBDSA-N 1 2 383.536 -1.143 20 0 GAADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000597617497 530088388 /nfs/dbraw/zinc/08/83/88/530088388.db2.gz OZFCAWCXYCYGLX-QWHCGFSZSA-N 1 2 383.536 -1.143 20 0 GAADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000597617499 530088303 /nfs/dbraw/zinc/08/83/03/530088303.db2.gz OZFCAWCXYCYGLX-STQMWFEESA-N 1 2 383.536 -1.143 20 0 GAADLO NC(=O)C1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000597701973 1074566703 /nfs/dbraw/zinc/56/67/03/1074566703.db2.gz OQCAVWKKUPWNJL-UHFFFAOYSA-N 1 2 381.458 -1.085 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC[N@@H+](C)C1 ZINC000597773439 1074566631 /nfs/dbraw/zinc/56/66/31/1074566631.db2.gz SRXUGULGVFCCDA-JTQLQIEISA-N 1 2 386.430 -1.582 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC[N@H+](C)C1 ZINC000597773439 1074566621 /nfs/dbraw/zinc/56/66/21/1074566621.db2.gz SRXUGULGVFCCDA-JTQLQIEISA-N 1 2 386.430 -1.582 20 0 GAADLO COC(=O)[C@H]1CN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC[N@@H+](C)C1 ZINC000597773440 1074566721 /nfs/dbraw/zinc/56/67/21/1074566721.db2.gz SRXUGULGVFCCDA-SNVBAGLBSA-N 1 2 386.430 -1.582 20 0 GAADLO COC(=O)[C@H]1CN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC[N@H+](C)C1 ZINC000597773440 1074566713 /nfs/dbraw/zinc/56/67/13/1074566713.db2.gz SRXUGULGVFCCDA-SNVBAGLBSA-N 1 2 386.430 -1.582 20 0 GAADLO CC(C)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NS(C)(=O)=O ZINC000597832611 1074567762 /nfs/dbraw/zinc/56/77/62/1074567762.db2.gz VGUKEPFGBFLXTH-CYBMUJFWSA-N 1 2 390.506 -1.389 20 0 GAADLO CC(C)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NS(C)(=O)=O ZINC000597832612 1074567849 /nfs/dbraw/zinc/56/78/49/1074567849.db2.gz VGUKEPFGBFLXTH-ZDUSSCGKSA-N 1 2 390.506 -1.389 20 0 GAADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000598031952 1074568340 /nfs/dbraw/zinc/56/83/40/1074568340.db2.gz SPOLTQKACLPRMH-UHFFFAOYSA-N 1 2 387.462 -2.085 20 0 GAADLO COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598633979 1074569809 /nfs/dbraw/zinc/56/98/09/1074569809.db2.gz CJFZSQUSGCIMIR-QWRGUYRKSA-N 1 2 384.389 -1.824 20 0 GAADLO COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598633979 1074569802 /nfs/dbraw/zinc/56/98/02/1074569802.db2.gz 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ZINC000599493070 1074575223 /nfs/dbraw/zinc/57/52/23/1074575223.db2.gz JAVFKWGXKMWYFY-CHWSQXEVSA-N 1 2 384.433 -1.815 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)[C@H](C)C1 ZINC000599493071 1074575198 /nfs/dbraw/zinc/57/51/98/1074575198.db2.gz JAVFKWGXKMWYFY-OLZOCXBDSA-N 1 2 384.433 -1.815 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)[C@H](C)C1 ZINC000599493071 1074575192 /nfs/dbraw/zinc/57/51/92/1074575192.db2.gz JAVFKWGXKMWYFY-OLZOCXBDSA-N 1 2 384.433 -1.815 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)[C@@H](C)C1 ZINC000599493072 1074575124 /nfs/dbraw/zinc/57/51/24/1074575124.db2.gz JAVFKWGXKMWYFY-QWHCGFSZSA-N 1 2 384.433 -1.815 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)[C@@H](C)C1 ZINC000599493072 1074575119 /nfs/dbraw/zinc/57/51/19/1074575119.db2.gz JAVFKWGXKMWYFY-QWHCGFSZSA-N 1 2 384.433 -1.815 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)[C@@H](C)C1 ZINC000599493073 1074575242 /nfs/dbraw/zinc/57/52/42/1074575242.db2.gz JAVFKWGXKMWYFY-STQMWFEESA-N 1 2 384.433 -1.815 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)[C@@H](C)C1 ZINC000599493073 1074575238 /nfs/dbraw/zinc/57/52/38/1074575238.db2.gz JAVFKWGXKMWYFY-STQMWFEESA-N 1 2 384.433 -1.815 20 0 GAADLO COC(=O)c1cnn(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000599526795 1073927816 /nfs/dbraw/zinc/92/78/16/1073927816.db2.gz SPYLHWUPEYSEHV-AWEZNQCLSA-N 1 2 379.417 -1.281 20 0 GAADLO COC(=O)c1cnn(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000599526796 1074575532 /nfs/dbraw/zinc/57/55/32/1074575532.db2.gz SPYLHWUPEYSEHV-CQSZACIVSA-N 1 2 379.417 -1.281 20 0 GAADLO COC(=O)[C@@]1(OC)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000600297905 1074408586 /nfs/dbraw/zinc/40/85/86/1074408586.db2.gz QPXSNLGFVNPTFI-KBXCAEBGSA-N 1 2 383.445 -1.042 20 0 GAADLO COC(=O)[C@]1(OC)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000600297906 1074408526 /nfs/dbraw/zinc/40/85/26/1074408526.db2.gz QPXSNLGFVNPTFI-KDOFPFPSSA-N 1 2 383.445 -1.042 20 0 GAADLO COC(=O)[C@]1(OC)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000600297907 1074408506 /nfs/dbraw/zinc/40/85/06/1074408506.db2.gz QPXSNLGFVNPTFI-KSSFIOAISA-N 1 2 383.445 -1.042 20 0 GAADLO COC(=O)[C@@]1(OC)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000600297909 1074408797 /nfs/dbraw/zinc/40/87/97/1074408797.db2.gz QPXSNLGFVNPTFI-RDTXWAMCSA-N 1 2 383.445 -1.042 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000600373849 1074411775 /nfs/dbraw/zinc/41/17/75/1074411775.db2.gz CRBOGAKKUHXBBG-ILXRZTDVSA-N 1 2 383.445 -1.044 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000600373852 1074411972 /nfs/dbraw/zinc/41/19/72/1074411972.db2.gz CRBOGAKKUHXBBG-KFWWJZLASA-N 1 2 383.445 -1.044 20 0 GAADLO NS(=O)(=O)c1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cs1 ZINC000600488927 530076253 /nfs/dbraw/zinc/07/62/53/530076253.db2.gz HCVFKGCEDNPXKI-UHFFFAOYSA-N 1 2 376.460 -1.426 20 0 GAADLO CNS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000600626962 530077251 /nfs/dbraw/zinc/07/72/51/530077251.db2.gz MNWMPDUYBMPWSE-KBPBESRZSA-N 1 2 398.551 -1.103 20 0 GAADLO CNS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000600626963 530077247 /nfs/dbraw/zinc/07/72/47/530077247.db2.gz MNWMPDUYBMPWSE-OKILXGFUSA-N 1 2 398.551 -1.103 20 0 GAADLO CNS(=O)(=O)CCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000600626964 530076973 /nfs/dbraw/zinc/07/69/73/530076973.db2.gz MNWMPDUYBMPWSE-ZIAGYGMSSA-N 1 2 398.551 -1.103 20 0 GAADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000600780037 1075761785 /nfs/dbraw/zinc/76/17/85/1075761785.db2.gz LCSACGUEBOVCJB-JTQLQIEISA-N 1 2 382.446 -1.442 20 0 GAADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000600780037 1075761779 /nfs/dbraw/zinc/76/17/79/1075761779.db2.gz LCSACGUEBOVCJB-JTQLQIEISA-N 1 2 382.446 -1.442 20 0 GAADLO 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1074584721 /nfs/dbraw/zinc/58/47/21/1074584721.db2.gz PWNHYHKUMHYIHU-CQSZACIVSA-N 1 2 376.461 -1.019 20 0 GAADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000608869266 530073181 /nfs/dbraw/zinc/07/31/81/530073181.db2.gz ZRSMBGPDVYQFSW-MRVPVSSYSA-N 1 2 375.373 -1.120 20 0 GAADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000608869266 530073179 /nfs/dbraw/zinc/07/31/79/530073179.db2.gz ZRSMBGPDVYQFSW-MRVPVSSYSA-N 1 2 375.373 -1.120 20 0 GAADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000608869274 530073506 /nfs/dbraw/zinc/07/35/06/530073506.db2.gz ZRSMBGPDVYQFSW-QMMMGPOBSA-N 1 2 375.373 -1.120 20 0 GAADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000608869274 530073504 /nfs/dbraw/zinc/07/35/04/530073504.db2.gz ZRSMBGPDVYQFSW-QMMMGPOBSA-N 1 2 375.373 -1.120 20 0 GAADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000609538966 530100079 /nfs/dbraw/zinc/10/00/79/530100079.db2.gz KFEFFZSYHVPHAZ-UHFFFAOYSA-N 1 2 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381.520 -1.261 20 0 GAADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000651882712 530086806 /nfs/dbraw/zinc/08/68/06/530086806.db2.gz ZKGPLHNMGRKPIQ-CQSZACIVSA-N 1 2 381.520 -1.261 20 0 GAADLO COCC[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(C)(C)C1 ZINC000651900723 530087363 /nfs/dbraw/zinc/08/73/63/530087363.db2.gz GNQHTGXYVUGEIN-UHFFFAOYSA-N 1 2 398.551 -1.149 20 0 GAADLO COCC[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C(C)(C)C1 ZINC000651900723 530087360 /nfs/dbraw/zinc/08/73/60/530087360.db2.gz GNQHTGXYVUGEIN-UHFFFAOYSA-N 1 2 398.551 -1.149 20 0 GAADLO CCS(=O)(=O)NCCS(=O)(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651931540 530087408 /nfs/dbraw/zinc/08/74/08/530087408.db2.gz VJGUOVJQTZAGGX-UHFFFAOYSA-N 1 2 387.524 -1.464 20 0 GAADLO C[NH+](C)CCN1CCN(C(=O)C(=O)N=c2ncn(Cc3ccccc3)[nH]2)CC1=O ZINC000651958715 1073450228 /nfs/dbraw/zinc/45/02/28/1073450228.db2.gz OUTUPLMOKNJERC-UHFFFAOYSA-N 1 2 399.455 -1.081 20 0 GAADLO C[NH+](C)CCn1ccc(=NC(=O)C(=O)N2CCN(Cc3nnc[nH]3)CC2)[nH]1 ZINC000652149075 1073912246 /nfs/dbraw/zinc/91/22/46/1073912246.db2.gz QTESVISJKYVMAL-UHFFFAOYSA-N 1 2 375.437 -1.732 20 0 GAADLO C[NH+](C)CCn1ccc(=NC(=O)C(=O)N2CCN(Cc3nc[nH]n3)CC2)[nH]1 ZINC000652149075 1073912233 /nfs/dbraw/zinc/91/22/33/1073912233.db2.gz QTESVISJKYVMAL-UHFFFAOYSA-N 1 2 375.437 -1.732 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1CNC(=O)[C@]1(O)CCSC1 ZINC000652498014 530088667 /nfs/dbraw/zinc/08/86/67/530088667.db2.gz XXPREPZQAOKJRS-KCXAZCMYSA-N 1 2 389.543 -1.019 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1CNC(=O)[C@]1(O)CCSC1 ZINC000652498014 530088665 /nfs/dbraw/zinc/08/86/65/530088665.db2.gz XXPREPZQAOKJRS-KCXAZCMYSA-N 1 2 389.543 -1.019 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1CNC(=O)[C@@]1(O)CCSC1 ZINC000652498015 530088819 /nfs/dbraw/zinc/08/88/19/530088819.db2.gz XXPREPZQAOKJRS-MAZHCROVSA-N 1 2 389.543 -1.019 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1CNC(=O)[C@@]1(O)CCSC1 ZINC000652498015 530088817 /nfs/dbraw/zinc/08/88/17/530088817.db2.gz XXPREPZQAOKJRS-MAZHCROVSA-N 1 2 389.543 -1.019 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1CNC(=O)[C@]1(O)CCSC1 ZINC000652498016 530088774 /nfs/dbraw/zinc/08/87/74/530088774.db2.gz XXPREPZQAOKJRS-RCBQFDQVSA-N 1 2 389.543 -1.019 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1CNC(=O)[C@]1(O)CCSC1 ZINC000652498016 530088773 /nfs/dbraw/zinc/08/87/73/530088773.db2.gz XXPREPZQAOKJRS-RCBQFDQVSA-N 1 2 389.543 -1.019 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1CNC(=O)[C@@]1(O)CCSC1 ZINC000652498017 530088788 /nfs/dbraw/zinc/08/87/88/530088788.db2.gz XXPREPZQAOKJRS-WQVCFCJDSA-N 1 2 389.543 -1.019 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1CNC(=O)[C@@]1(O)CCSC1 ZINC000652498017 530088787 /nfs/dbraw/zinc/08/87/87/530088787.db2.gz XXPREPZQAOKJRS-WQVCFCJDSA-N 1 2 389.543 -1.019 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652543137 1075868234 /nfs/dbraw/zinc/86/82/34/1075868234.db2.gz KVUBROPONKZRBT-GDBMZVCRSA-N 1 2 395.460 -1.529 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652543138 1073926323 /nfs/dbraw/zinc/92/63/23/1073926323.db2.gz KVUBROPONKZRBT-GOEBONIOSA-N 1 2 395.460 -1.529 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652543139 1073926432 /nfs/dbraw/zinc/92/64/32/1073926432.db2.gz KVUBROPONKZRBT-HOCLYGCPSA-N 1 2 395.460 -1.529 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652543140 1075868357 /nfs/dbraw/zinc/86/83/57/1075868357.db2.gz KVUBROPONKZRBT-ZBFHGGJFSA-N 1 2 395.460 -1.529 20 0 GAADLO COCCOCCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000652550218 1073927102 /nfs/dbraw/zinc/92/71/02/1073927102.db2.gz FMNZLTHEKLHXAW-INIZCTEOSA-N 1 2 386.493 -1.681 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652551400 1073927040 /nfs/dbraw/zinc/92/70/40/1073927040.db2.gz PEUCELNUTJDTKA-RBSFLKMASA-N 1 2 385.461 -1.457 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652551401 1073926985 /nfs/dbraw/zinc/92/69/85/1073926985.db2.gz PEUCELNUTJDTKA-RRFJBIMHSA-N 1 2 385.461 -1.457 20 0 GAADLO C[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652892866 1075870994 /nfs/dbraw/zinc/87/09/94/1075870994.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 1 2 394.516 -1.187 20 0 GAADLO C[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652892866 1075870990 /nfs/dbraw/zinc/87/09/90/1075870990.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 1 2 394.516 -1.187 20 0 GAADLO C[C@@H](C(=O)N1CC(N2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892866 1075870989 /nfs/dbraw/zinc/87/09/89/1075870989.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 1 2 394.516 -1.187 20 0 GAADLO C[C@@H](C(=O)N1CC(N2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892866 1075870983 /nfs/dbraw/zinc/87/09/83/1075870983.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 1 2 394.516 -1.187 20 0 GAADLO COCCOCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000652999904 1075871717 /nfs/dbraw/zinc/87/17/17/1075871717.db2.gz OLKOYTOXQRVECJ-UHFFFAOYSA-N 1 2 389.478 -1.494 20 0 GAADLO COCCOCC[NH+]1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000653000196 1075871805 /nfs/dbraw/zinc/87/18/05/1075871805.db2.gz YAPHFVQJAYNJDH-UHFFFAOYSA-N 1 2 392.522 -1.629 20 0 GAADLO COCCOCC[NH+]1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000653000593 1075871731 /nfs/dbraw/zinc/87/17/31/1075871731.db2.gz LEHGBJWURUEESZ-UHFFFAOYSA-N 1 2 389.478 -1.272 20 0 GAADLO COCCOCC[NH+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000653000655 530106974 /nfs/dbraw/zinc/10/69/74/530106974.db2.gz NTODVIKVRUIYFQ-UHFFFAOYSA-N 1 2 375.451 -1.662 20 0 GAADLO COCCOCC[NH+]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000653001053 1075871755 /nfs/dbraw/zinc/87/17/55/1075871755.db2.gz AZFMLMJAOOJEGX-UHFFFAOYSA-N 1 2 378.433 -1.063 20 0 GAADLO COCCOCC[NH+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000653001512 530107033 /nfs/dbraw/zinc/10/70/33/530107033.db2.gz VJVLJZVHSDRJJI-UHFFFAOYSA-N 1 2 378.495 -1.291 20 0 GAADLO CCN1C[C@H](CNC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1=O ZINC000653448838 1075882011 /nfs/dbraw/zinc/88/20/11/1075882011.db2.gz HFUQWMJAOVJETL-AWEZNQCLSA-N 1 2 384.477 -1.223 20 0 GAADLO CCN1C[C@@H](CNC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1=O ZINC000653448839 1075881976 /nfs/dbraw/zinc/88/19/76/1075881976.db2.gz HFUQWMJAOVJETL-CQSZACIVSA-N 1 2 384.477 -1.223 20 0 GAADLO Cc1onc(CO)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000654480891 1075886375 /nfs/dbraw/zinc/88/63/75/1075886375.db2.gz AZEQHQSBFZAVLI-UHFFFAOYSA-N 1 2 387.462 -1.275 20 0 GAADLO C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(N)=O ZINC000654481071 530168279 /nfs/dbraw/zinc/16/82/79/530168279.db2.gz FESDZBWFLZHRQT-GFCCVEGCSA-N 1 2 376.483 -1.930 20 0 GAADLO C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)NC(N)=O ZINC000654481072 530168016 /nfs/dbraw/zinc/16/80/16/530168016.db2.gz FESDZBWFLZHRQT-LBPRGKRZSA-N 1 2 376.483 -1.930 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cn1 ZINC000654805201 1073401618 /nfs/dbraw/zinc/40/16/18/1073401618.db2.gz JBVYFIOZOUITIJ-CYBMUJFWSA-N 1 2 386.416 -1.280 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cn1 ZINC000654805202 1073401806 /nfs/dbraw/zinc/40/18/06/1073401806.db2.gz JBVYFIOZOUITIJ-ZDUSSCGKSA-N 1 2 386.416 -1.280 20 0 GAADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000655120700 1074773323 /nfs/dbraw/zinc/77/33/23/1074773323.db2.gz QMOJFSPUPMOIMH-ZIAGYGMSSA-N 1 2 396.469 -1.216 20 0 GAADLO Cn1cnnc1N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000655291182 1073425812 /nfs/dbraw/zinc/42/58/12/1073425812.db2.gz GUEXQCBMVLKEQO-HNNXBMFYSA-N 1 2 391.476 -1.356 20 0 GAADLO Cn1cnnc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000655291183 1073487531 /nfs/dbraw/zinc/48/75/31/1073487531.db2.gz GUEXQCBMVLKEQO-OAHLLOKOSA-N 1 2 391.476 -1.356 20 0 GAADLO CS(=O)(=O)N1CCN(CCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000655298063 1073426872 /nfs/dbraw/zinc/42/68/72/1073426872.db2.gz MZJOEIHENGCMEP-GASCZTMLSA-N 1 2 389.522 -1.274 20 0 GAADLO CS(=O)(=O)N1CCN(CCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000655298063 1073426867 /nfs/dbraw/zinc/42/68/67/1073426867.db2.gz MZJOEIHENGCMEP-GASCZTMLSA-N 1 2 389.522 -1.274 20 0 GAADLO Cn1nnc2c1CC[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000655301955 1073524090 /nfs/dbraw/zinc/52/40/90/1073524090.db2.gz LKOYIEQYTJFPKV-KBPBESRZSA-N 1 2 376.461 -1.031 20 0 GAADLO Cn1nnc2c1CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000655301956 1073428559 /nfs/dbraw/zinc/42/85/59/1073428559.db2.gz LKOYIEQYTJFPKV-KGLIPLIRSA-N 1 2 376.461 -1.031 20 0 GAADLO Cn1nnc2c1CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000655301957 1073428596 /nfs/dbraw/zinc/42/85/96/1073428596.db2.gz LKOYIEQYTJFPKV-UONOGXRCSA-N 1 2 376.461 -1.031 20 0 GAADLO Cn1nnc2c1CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC000655301958 1073428618 /nfs/dbraw/zinc/42/86/18/1073428618.db2.gz LKOYIEQYTJFPKV-ZIAGYGMSSA-N 1 2 376.461 -1.031 20 0 GAADLO C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638950 530100746 /nfs/dbraw/zinc/10/07/46/530100746.db2.gz KZMXCTTWCYAAOW-MCIONIFRSA-N 1 2 398.551 -1.104 20 0 GAADLO C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638950 530100745 /nfs/dbraw/zinc/10/07/45/530100745.db2.gz KZMXCTTWCYAAOW-MCIONIFRSA-N 1 2 398.551 -1.104 20 0 GAADLO C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638951 530101094 /nfs/dbraw/zinc/10/10/94/530101094.db2.gz KZMXCTTWCYAAOW-MELADBBJSA-N 1 2 398.551 -1.104 20 0 GAADLO C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655638951 530101093 /nfs/dbraw/zinc/10/10/93/530101093.db2.gz KZMXCTTWCYAAOW-MELADBBJSA-N 1 2 398.551 -1.104 20 0 GAADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000656059557 1073512251 /nfs/dbraw/zinc/51/22/51/1073512251.db2.gz CWCFSKBXFOSGDR-HNNXBMFYSA-N 1 2 391.476 -1.213 20 0 GAADLO Cn1cnnc1N1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000656059558 1073512223 /nfs/dbraw/zinc/51/22/23/1073512223.db2.gz CWCFSKBXFOSGDR-OAHLLOKOSA-N 1 2 391.476 -1.213 20 0 GAADLO C[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656060578 1073512835 /nfs/dbraw/zinc/51/28/35/1073512835.db2.gz GBGGXFGILGLKLL-MCIONIFRSA-N 1 2 390.506 -1.296 20 0 GAADLO C[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656060578 1073512823 /nfs/dbraw/zinc/51/28/23/1073512823.db2.gz GBGGXFGILGLKLL-MCIONIFRSA-N 1 2 390.506 -1.296 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656060579 1073512792 /nfs/dbraw/zinc/51/27/92/1073512792.db2.gz GBGGXFGILGLKLL-MELADBBJSA-N 1 2 390.506 -1.296 20 0 GAADLO 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O=C1NC[C@@H]2CN(C/C=C/C[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000675968416 1074867717 /nfs/dbraw/zinc/86/77/17/1074867717.db2.gz JWDFOLAZJVLFBU-CZMZKRSCSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2C[N@@H+](C/C=C/CN3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000675968416 1074867713 /nfs/dbraw/zinc/86/77/13/1074867713.db2.gz JWDFOLAZJVLFBU-CZMZKRSCSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2C[N@H+](C/C=C/CN3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000675968416 1074867708 /nfs/dbraw/zinc/86/77/08/1074867708.db2.gz JWDFOLAZJVLFBU-CZMZKRSCSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2CN(C/C=C/C[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000675968417 1074867746 /nfs/dbraw/zinc/86/77/46/1074867746.db2.gz JWDFOLAZJVLFBU-GEYXIOIISA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2CN(C/C=C/C[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000675968417 1074867743 /nfs/dbraw/zinc/86/77/43/1074867743.db2.gz JWDFOLAZJVLFBU-GEYXIOIISA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2CN(C/C=C\C[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000675968418 1074867631 /nfs/dbraw/zinc/86/76/31/1074867631.db2.gz JWDFOLAZJVLFBU-KOMGFDSOSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2CN(C/C=C\C[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000675968418 1074867628 /nfs/dbraw/zinc/86/76/28/1074867628.db2.gz JWDFOLAZJVLFBU-KOMGFDSOSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2CN(C/C=C\C[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000675968419 1074867817 /nfs/dbraw/zinc/86/78/17/1074867817.db2.gz JWDFOLAZJVLFBU-YZRRVPADSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2CN(C/C=C\C[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000675968419 1074867815 /nfs/dbraw/zinc/86/78/15/1074867815.db2.gz JWDFOLAZJVLFBU-YZRRVPADSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2C[N@@H+](C/C=C\CN3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000675968419 1074867811 /nfs/dbraw/zinc/86/78/11/1074867811.db2.gz JWDFOLAZJVLFBU-YZRRVPADSA-N 1 2 390.444 -3.172 20 0 GAADLO O=C1NC[C@@H]2C[N@H+](C/C=C\CN3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000675968419 1074867806 /nfs/dbraw/zinc/86/78/06/1074867806.db2.gz JWDFOLAZJVLFBU-YZRRVPADSA-N 1 2 390.444 -3.172 20 0 GAADLO Cn1cnc(S(=O)(=O)NCC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000676405718 530184342 /nfs/dbraw/zinc/18/43/42/530184342.db2.gz QHMLEQNCOWLXGG-UHFFFAOYSA-N 1 2 375.451 -2.149 20 0 GAADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000676547201 1074869774 /nfs/dbraw/zinc/86/97/74/1074869774.db2.gz AWTAHRSDSVBZSD-AWEZNQCLSA-N 1 2 378.433 -1.109 20 0 GAADLO CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000676547202 1074869767 /nfs/dbraw/zinc/86/97/67/1074869767.db2.gz AWTAHRSDSVBZSD-CQSZACIVSA-N 1 2 378.433 -1.109 20 0 GAADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000676582871 1074869843 /nfs/dbraw/zinc/86/98/43/1074869843.db2.gz MZXKWTBMZGSJBY-AWEZNQCLSA-N 1 2 397.501 -1.224 20 0 GAADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000676582872 1074869815 /nfs/dbraw/zinc/86/98/15/1074869815.db2.gz MZXKWTBMZGSJBY-CQSZACIVSA-N 1 2 397.501 -1.224 20 0 GAADLO NS(=O)(=O)c1cnn(CCC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000677442541 530184875 /nfs/dbraw/zinc/18/48/75/530184875.db2.gz CNRSJNAXRWTOLE-UHFFFAOYSA-N 1 2 375.451 -1.926 20 0 GAADLO Cn1cc(S(=O)(=O)NCC(=O)N(CCO)CC[NH+]2CCOCC2)cn1 ZINC000677442651 530184368 /nfs/dbraw/zinc/18/43/68/530184368.db2.gz FJAFOUDRRFXTEY-UHFFFAOYSA-N 1 2 375.451 -2.149 20 0 GAADLO CS(=O)(=O)N1CCN(CC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000677443050 530184757 /nfs/dbraw/zinc/18/47/57/530184757.db2.gz JUTOXNAGZNMBPT-UHFFFAOYSA-N 1 2 378.495 -2.283 20 0 GAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCO)CCN1CCOCC1 ZINC000677444169 1073471259 /nfs/dbraw/zinc/47/12/59/1073471259.db2.gz YZAXPLFXANRKFT-KRWDZBQOSA-N 1 2 398.504 -1.680 20 0 GAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(CCO)CCN1CCOCC1 ZINC000677444170 1073471784 /nfs/dbraw/zinc/47/17/84/1073471784.db2.gz YZAXPLFXANRKFT-QGZVFWFLSA-N 1 2 398.504 -1.680 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(CC[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000677676389 530184748 /nfs/dbraw/zinc/18/47/48/530184748.db2.gz PLDRVWDDEYXHDI-HNNXBMFYSA-N 1 2 394.563 -1.079 20 0 GAADLO C[NH+]1CCN(S(=O)(=O)N2CCN(CC[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000677676394 530184563 /nfs/dbraw/zinc/18/45/63/530184563.db2.gz PLDRVWDDEYXHDI-OAHLLOKOSA-N 1 2 394.563 -1.079 20 0 GAADLO CS(=O)(=O)N1CCC[C@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677895990 530184577 /nfs/dbraw/zinc/18/45/77/530184577.db2.gz GJOIONCPMCWTFD-AWEZNQCLSA-N 1 2 378.495 -1.254 20 0 GAADLO CS(=O)(=O)N1CCC[C@@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677895994 530185685 /nfs/dbraw/zinc/18/56/85/530185685.db2.gz GJOIONCPMCWTFD-CQSZACIVSA-N 1 2 378.495 -1.254 20 0 GAADLO O=C(NCCCN1CCCS1(=O)=O)N(CCO)CC[NH+]1CCOCC1 ZINC000677900195 530185491 /nfs/dbraw/zinc/18/54/91/530185491.db2.gz YFVHVQFCTNNEKP-UHFFFAOYSA-N 1 2 378.495 -1.252 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000677938454 1073474119 /nfs/dbraw/zinc/47/41/19/1073474119.db2.gz DEALBGFOUYPARW-CYBMUJFWSA-N 1 2 387.458 -1.136 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000677938455 1073474046 /nfs/dbraw/zinc/47/40/46/1073474046.db2.gz DEALBGFOUYPARW-ZDUSSCGKSA-N 1 2 387.458 -1.136 20 0 GAADLO CCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000677999192 1073474691 /nfs/dbraw/zinc/47/46/91/1073474691.db2.gz IYALPTOKRXWIQW-UHFFFAOYSA-N 1 2 385.494 -1.062 20 0 GAADLO CCNC(=O)CN(C)c1nc(N2CCOCC2)nc(N(C)CC(=O)NCC)[nH+]1 ZINC000678002683 1073474799 /nfs/dbraw/zinc/47/47/99/1073474799.db2.gz SOGNWHNNFGQTRH-UHFFFAOYSA-N 1 2 394.480 -1.147 20 0 GAADLO CCNC(=O)CN(C)c1nc(N(C)CC(=O)NCC)[nH+]c(N2CCOCC2)n1 ZINC000678002683 1073474792 /nfs/dbraw/zinc/47/47/92/1073474792.db2.gz SOGNWHNNFGQTRH-UHFFFAOYSA-N 1 2 394.480 -1.147 20 0 GAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000678674452 1073478232 /nfs/dbraw/zinc/47/82/32/1073478232.db2.gz CTLDKSNBIDKECL-UHFFFAOYSA-N 1 2 394.457 -1.034 20 0 GAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000678678493 1073478161 /nfs/dbraw/zinc/47/81/61/1073478161.db2.gz XUQMKUIQPLVCFO-UHFFFAOYSA-N 1 2 383.372 -1.370 20 0 GAADLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000678802646 530185676 /nfs/dbraw/zinc/18/56/76/530185676.db2.gz IGAPZYZMLSZENV-AWEZNQCLSA-N 1 2 376.479 -1.572 20 0 GAADLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000678802646 530185675 /nfs/dbraw/zinc/18/56/75/530185675.db2.gz IGAPZYZMLSZENV-AWEZNQCLSA-N 1 2 376.479 -1.572 20 0 GAADLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000678802647 530185560 /nfs/dbraw/zinc/18/55/60/530185560.db2.gz IGAPZYZMLSZENV-CQSZACIVSA-N 1 2 376.479 -1.572 20 0 GAADLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000678802647 530185556 /nfs/dbraw/zinc/18/55/56/530185556.db2.gz IGAPZYZMLSZENV-CQSZACIVSA-N 1 2 376.479 -1.572 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000679340590 1073483840 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375.495 -1.080 20 0 GAADLO CN(CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)S(C)(=O)=O ZINC000680637506 530185703 /nfs/dbraw/zinc/18/57/03/530185703.db2.gz KDUYBKOEAPPVFA-ZDUSSCGKSA-N 1 2 375.495 -1.080 20 0 GAADLO CN(CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)S(C)(=O)=O ZINC000680637506 530185702 /nfs/dbraw/zinc/18/57/02/530185702.db2.gz KDUYBKOEAPPVFA-ZDUSSCGKSA-N 1 2 375.495 -1.080 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000680941487 1073507833 /nfs/dbraw/zinc/50/78/33/1073507833.db2.gz KXGMQASWROWKGX-UHFFFAOYSA-N 1 2 397.520 -1.118 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000680941727 1073507768 /nfs/dbraw/zinc/50/77/68/1073507768.db2.gz BIMVOUCKGSHJRA-CVEARBPZSA-N 1 2 385.461 -1.454 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000680941730 1073507918 /nfs/dbraw/zinc/50/79/18/1073507918.db2.gz BIMVOUCKGSHJRA-HOTGVXAUSA-N 1 2 385.461 -1.454 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1)N1CCOCC1 ZINC000680941733 1073507793 /nfs/dbraw/zinc/50/77/93/1073507793.db2.gz BIMVOUCKGSHJRA-HZPDHXFCSA-N 1 2 385.461 -1.454 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1)N1CCOCC1 ZINC000680941735 1073507583 /nfs/dbraw/zinc/50/75/83/1073507583.db2.gz BIMVOUCKGSHJRA-JKSUJKDBSA-N 1 2 385.461 -1.454 20 0 GAADLO CS(=O)(=O)N1CCN(CCNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000680951638 530185168 /nfs/dbraw/zinc/18/51/68/530185168.db2.gz RUNQBURVGCBZMT-UHFFFAOYSA-N 1 2 398.551 -1.795 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000680951769 530185515 /nfs/dbraw/zinc/18/55/15/530185515.db2.gz RAGGTGDMTZQCHK-UHFFFAOYSA-N 1 2 384.524 -1.538 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000681375600 1073509278 /nfs/dbraw/zinc/50/92/78/1073509278.db2.gz OPHBAFXTIZVEJL-UHFFFAOYSA-N 1 2 383.478 -1.317 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000681375600 1073509267 /nfs/dbraw/zinc/50/92/67/1073509267.db2.gz OPHBAFXTIZVEJL-UHFFFAOYSA-N 1 2 383.478 -1.317 20 0 GAADLO CN1CCN(c2cc(NCCN3CCN(S(C)(=O)=O)CC3)nc[nH+]2)CC1=O ZINC000681377881 1073509382 /nfs/dbraw/zinc/50/93/82/1073509382.db2.gz JYUCOJFFAWASOS-UHFFFAOYSA-N 1 2 397.505 -1.256 20 0 GAADLO CC1(C)CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@H+]1CCO ZINC000682008524 1073513671 /nfs/dbraw/zinc/51/36/71/1073513671.db2.gz JNQPDXRYGBLIMQ-UHFFFAOYSA-N 1 2 388.446 -1.428 20 0 GAADLO CC1(C)CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@@H+]1CCO ZINC000682008524 1073513662 /nfs/dbraw/zinc/51/36/62/1073513662.db2.gz JNQPDXRYGBLIMQ-UHFFFAOYSA-N 1 2 388.446 -1.428 20 0 GAADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000682091803 1073513505 /nfs/dbraw/zinc/51/35/05/1073513505.db2.gz GGJGYWQNVCLXPC-CYBMUJFWSA-N 1 2 378.433 -1.109 20 0 GAADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000682091804 1073513546 /nfs/dbraw/zinc/51/35/46/1073513546.db2.gz GGJGYWQNVCLXPC-ZDUSSCGKSA-N 1 2 378.433 -1.109 20 0 GAADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000682092540 1073514238 /nfs/dbraw/zinc/51/42/38/1073514238.db2.gz PZOBFVVKOOUNSQ-CYBMUJFWSA-N 1 2 378.433 -1.109 20 0 GAADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000682092541 1073514257 /nfs/dbraw/zinc/51/42/57/1073514257.db2.gz PZOBFVVKOOUNSQ-ZDUSSCGKSA-N 1 2 378.433 -1.109 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)CC1 ZINC000682276025 1073514483 /nfs/dbraw/zinc/51/44/83/1073514483.db2.gz QQOZTYFUAFSPIW-UONOGXRCSA-N 1 2 390.440 -1.033 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000682280332 1073514181 /nfs/dbraw/zinc/51/41/81/1073514181.db2.gz QZTLHBJFNCPFRQ-GASCZTMLSA-N 1 2 376.413 -1.423 20 0 GAADLO CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682307594 1073514929 /nfs/dbraw/zinc/51/49/29/1073514929.db2.gz SDETVYRYZRNGLM-ZDUSSCGKSA-N 1 2 378.429 -1.176 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)CC1 ZINC000682336200 1073515333 /nfs/dbraw/zinc/51/53/33/1073515333.db2.gz QQOZTYFUAFSPIW-KBPBESRZSA-N 1 2 390.440 -1.033 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000682336201 1073515556 /nfs/dbraw/zinc/51/55/56/1073515556.db2.gz QQOZTYFUAFSPIW-KGLIPLIRSA-N 1 2 390.440 -1.033 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)CC1 ZINC000682336202 1073515466 /nfs/dbraw/zinc/51/54/66/1073515466.db2.gz QQOZTYFUAFSPIW-ZIAGYGMSSA-N 1 2 390.440 -1.033 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000683389385 530186179 /nfs/dbraw/zinc/18/61/79/530186179.db2.gz PMHYFJUHIDCHKZ-UHFFFAOYSA-N 1 2 375.495 -1.015 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000683982077 1073535711 /nfs/dbraw/zinc/53/57/11/1073535711.db2.gz SGWKWDULEVOJAU-HNNXBMFYSA-N 1 2 391.538 -1.074 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000683982078 1073535907 /nfs/dbraw/zinc/53/59/07/1073535907.db2.gz SGWKWDULEVOJAU-OAHLLOKOSA-N 1 2 391.538 -1.074 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@](C)(O)CO)CC1 ZINC000684647907 1073582554 /nfs/dbraw/zinc/58/25/54/1073582554.db2.gz DZPQPKZLVJDSES-GOSISDBHSA-N 1 2 378.429 -1.128 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@](C)(O)CO)CC1 ZINC000684647908 1073582476 /nfs/dbraw/zinc/58/24/76/1073582476.db2.gz DZPQPKZLVJDSES-SFHVURJKSA-N 1 2 378.429 -1.128 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173909 1073626204 /nfs/dbraw/zinc/62/62/04/1073626204.db2.gz ZOPXLALBSFHCBI-DZGCQCFKSA-N 1 2 392.460 -1.179 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173912 1073626049 /nfs/dbraw/zinc/62/60/49/1073626049.db2.gz ZOPXLALBSFHCBI-HIFRSBDPSA-N 1 2 392.460 -1.179 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173914 1073626030 /nfs/dbraw/zinc/62/60/30/1073626030.db2.gz ZOPXLALBSFHCBI-UKRRQHHQSA-N 1 2 392.460 -1.179 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685173916 1073626119 /nfs/dbraw/zinc/62/61/19/1073626119.db2.gz ZOPXLALBSFHCBI-ZFWWWQNUSA-N 1 2 392.460 -1.179 20 0 GAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000685328712 1073649617 /nfs/dbraw/zinc/64/96/17/1073649617.db2.gz SHHROBHJDWGNSX-AWEZNQCLSA-N 1 2 388.490 -1.683 20 0 GAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000685328713 1073649544 /nfs/dbraw/zinc/64/95/44/1073649544.db2.gz SHHROBHJDWGNSX-CQSZACIVSA-N 1 2 388.490 -1.683 20 0 GAADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000685328719 1073649692 /nfs/dbraw/zinc/64/96/92/1073649692.db2.gz SPAIUPVTOKRCCJ-UHFFFAOYSA-N 1 2 390.506 -1.437 20 0 GAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000685329066 1073649641 /nfs/dbraw/zinc/64/96/41/1073649641.db2.gz KUTBPQAFDZRIOL-UHFFFAOYSA-N 1 2 381.458 -1.262 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000685330139 530187024 /nfs/dbraw/zinc/18/70/24/530187024.db2.gz HYNYOIMNOYFXGK-UHFFFAOYSA-N 1 2 376.479 -1.825 20 0 GAADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685358694 1073654334 /nfs/dbraw/zinc/65/43/34/1073654334.db2.gz JFBUHDRINABYND-AWEZNQCLSA-N 1 2 376.461 -1.017 20 0 GAADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685358695 1073654407 /nfs/dbraw/zinc/65/44/07/1073654407.db2.gz JFBUHDRINABYND-CQSZACIVSA-N 1 2 376.461 -1.017 20 0 GAADLO CNS(=O)(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000685416244 530186746 /nfs/dbraw/zinc/18/67/46/530186746.db2.gz PWKVJLUQBXYQBE-UHFFFAOYSA-N 1 2 377.511 -1.705 20 0 GAADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000685603661 530186786 /nfs/dbraw/zinc/18/67/86/530186786.db2.gz DULMJFRDFUQMEC-UHFFFAOYSA-N 1 2 377.511 -1.169 20 0 GAADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000685603661 530186783 /nfs/dbraw/zinc/18/67/83/530186783.db2.gz DULMJFRDFUQMEC-UHFFFAOYSA-N 1 2 377.511 -1.169 20 0 GAADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000685747488 1073727821 /nfs/dbraw/zinc/72/78/21/1073727821.db2.gz WVFCQMPQEPHBGR-CYBMUJFWSA-N 1 2 386.478 -1.169 20 0 GAADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000685747488 1073727815 /nfs/dbraw/zinc/72/78/15/1073727815.db2.gz WVFCQMPQEPHBGR-CYBMUJFWSA-N 1 2 386.478 -1.169 20 0 GAADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000685747490 1073727838 /nfs/dbraw/zinc/72/78/38/1073727838.db2.gz WVFCQMPQEPHBGR-ZDUSSCGKSA-N 1 2 386.478 -1.169 20 0 GAADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000685747490 1073727833 /nfs/dbraw/zinc/72/78/33/1073727833.db2.gz WVFCQMPQEPHBGR-ZDUSSCGKSA-N 1 2 386.478 -1.169 20 0 GAADLO Cc1nc(NCCS(=O)(=O)N(C)C)nc(NCCS(=O)(=O)N(C)C)[nH+]1 ZINC000685931543 530187139 /nfs/dbraw/zinc/18/71/39/530187139.db2.gz MZFJBBNXLQPAGI-UHFFFAOYSA-N 1 2 395.511 -1.213 20 0 GAADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cn1C ZINC000725885992 1073539051 /nfs/dbraw/zinc/53/90/51/1073539051.db2.gz DUOYKSRUHIVAIR-UHFFFAOYSA-N 1 2 386.478 -1.583 20 0 GAADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cn1C ZINC000725885992 1073539043 /nfs/dbraw/zinc/53/90/43/1073539043.db2.gz DUOYKSRUHIVAIR-UHFFFAOYSA-N 1 2 386.478 -1.583 20 0 GAADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCO1 ZINC000726257864 1073539764 /nfs/dbraw/zinc/53/97/64/1073539764.db2.gz BFHAHRIDYLOBPM-HNNXBMFYSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCO1 ZINC000726257864 1073539754 /nfs/dbraw/zinc/53/97/54/1073539754.db2.gz BFHAHRIDYLOBPM-HNNXBMFYSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCO1 ZINC000726257870 1073539440 /nfs/dbraw/zinc/53/94/40/1073539440.db2.gz BFHAHRIDYLOBPM-OAHLLOKOSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCO1 ZINC000726257870 1073539429 /nfs/dbraw/zinc/53/94/29/1073539429.db2.gz BFHAHRIDYLOBPM-OAHLLOKOSA-N 1 2 397.476 -1.580 20 0 GAADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCO1 ZINC000726258425 1073539639 /nfs/dbraw/zinc/53/96/39/1073539639.db2.gz JPJAEXBNVHSSBI-INIZCTEOSA-N 1 2 383.493 -1.107 20 0 GAADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCO1 ZINC000726258425 1073539624 /nfs/dbraw/zinc/53/96/24/1073539624.db2.gz JPJAEXBNVHSSBI-INIZCTEOSA-N 1 2 383.493 -1.107 20 0 GAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCO1 ZINC000726258428 1073539539 /nfs/dbraw/zinc/53/95/39/1073539539.db2.gz JPJAEXBNVHSSBI-MRXNPFEDSA-N 1 2 383.493 -1.107 20 0 GAADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCO1 ZINC000726258428 1073539530 /nfs/dbraw/zinc/53/95/30/1073539530.db2.gz JPJAEXBNVHSSBI-MRXNPFEDSA-N 1 2 383.493 -1.107 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000726868682 1073540917 /nfs/dbraw/zinc/54/09/17/1073540917.db2.gz DTYJBCUJGVZHAZ-UHFFFAOYSA-N 1 2 384.400 -1.048 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727072951 1074898023 /nfs/dbraw/zinc/89/80/23/1074898023.db2.gz SBZVHPKRLFBOFA-UHFFFAOYSA-N 1 2 398.518 -1.091 20 0 GAADLO NC(=O)CNC(=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000727075095 637351232 /nfs/dbraw/zinc/35/12/32/637351232.db2.gz XZGFHCVMQIUCAU-UHFFFAOYSA-N 1 2 386.503 -1.517 20 0 GAADLO C[C@H]1C[N@@H+](CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000727942197 637352197 /nfs/dbraw/zinc/35/21/97/637352197.db2.gz PXSDUDGRXMQXGN-AWEZNQCLSA-N 1 2 377.511 -1.417 20 0 GAADLO C[C@H]1C[N@H+](CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000727942197 637352190 /nfs/dbraw/zinc/35/21/90/637352190.db2.gz PXSDUDGRXMQXGN-AWEZNQCLSA-N 1 2 377.511 -1.417 20 0 GAADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000727942200 637352305 /nfs/dbraw/zinc/35/23/05/637352305.db2.gz PXSDUDGRXMQXGN-CQSZACIVSA-N 1 2 377.511 -1.417 20 0 GAADLO C[C@@H]1C[N@H+](CCNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCO1 ZINC000727942200 637352302 /nfs/dbraw/zinc/35/23/02/637352302.db2.gz PXSDUDGRXMQXGN-CQSZACIVSA-N 1 2 377.511 -1.417 20 0 GAADLO CN(CCS(C)(=O)=O)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000728053675 1074899928 /nfs/dbraw/zinc/89/99/28/1074899928.db2.gz GWIMTWVPGBCWLL-UHFFFAOYSA-N 1 2 395.489 -1.012 20 0 GAADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000728867410 1073932483 /nfs/dbraw/zinc/93/24/83/1073932483.db2.gz ORFCWJGJQXKPGV-UHFFFAOYSA-N 1 2 380.426 -1.149 20 0 GAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000728867410 1073932476 /nfs/dbraw/zinc/93/24/76/1073932476.db2.gz ORFCWJGJQXKPGV-UHFFFAOYSA-N 1 2 380.426 -1.149 20 0 GAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385334 1073997324 /nfs/dbraw/zinc/99/73/24/1073997324.db2.gz RZBAEWBBAKYSTF-CHWSQXEVSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385334 1073997317 /nfs/dbraw/zinc/99/73/17/1073997317.db2.gz RZBAEWBBAKYSTF-CHWSQXEVSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385335 1073997114 /nfs/dbraw/zinc/99/71/14/1073997114.db2.gz RZBAEWBBAKYSTF-OLZOCXBDSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385335 1073997104 /nfs/dbraw/zinc/99/71/04/1073997104.db2.gz RZBAEWBBAKYSTF-OLZOCXBDSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385336 1073997221 /nfs/dbraw/zinc/99/72/21/1073997221.db2.gz RZBAEWBBAKYSTF-QWHCGFSZSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385336 1073997212 /nfs/dbraw/zinc/99/72/12/1073997212.db2.gz RZBAEWBBAKYSTF-QWHCGFSZSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1COCC[N@H+]1CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385337 1073997683 /nfs/dbraw/zinc/99/76/83/1073997683.db2.gz RZBAEWBBAKYSTF-STQMWFEESA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000729385337 1073997675 /nfs/dbraw/zinc/99/76/75/1073997675.db2.gz RZBAEWBBAKYSTF-STQMWFEESA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC000729605349 1074283809 /nfs/dbraw/zinc/28/38/09/1074283809.db2.gz JFCTVKKCZLANAF-AWEZNQCLSA-N 1 2 395.460 -1.290 20 0 GAADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC000729605349 1074283803 /nfs/dbraw/zinc/28/38/03/1074283803.db2.gz JFCTVKKCZLANAF-AWEZNQCLSA-N 1 2 395.460 -1.290 20 0 GAADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC000729605356 1074283790 /nfs/dbraw/zinc/28/37/90/1074283790.db2.gz JFCTVKKCZLANAF-CQSZACIVSA-N 1 2 395.460 -1.290 20 0 GAADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCO1 ZINC000729605356 1074283787 /nfs/dbraw/zinc/28/37/87/1074283787.db2.gz JFCTVKKCZLANAF-CQSZACIVSA-N 1 2 395.460 -1.290 20 0 GAADLO COC(=O)NC(C)(C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000729626014 1074289488 /nfs/dbraw/zinc/28/94/88/1074289488.db2.gz SBSNZVSMKKWSKQ-UHFFFAOYSA-N 1 2 391.494 -1.243 20 0 GAADLO Cc1n[nH]cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000730099743 637356178 /nfs/dbraw/zinc/35/61/78/637356178.db2.gz BWRKDCRUGQSLCX-UHFFFAOYSA-N 1 2 392.507 -1.483 20 0 GAADLO COC(=O)NCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000730829695 1074901836 /nfs/dbraw/zinc/90/18/36/1074901836.db2.gz HAIXTZFJRYFBFA-UHFFFAOYSA-N 1 2 391.494 -1.241 20 0 GAADLO COC(=O)NCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000730830652 637365567 /nfs/dbraw/zinc/36/55/67/637365567.db2.gz SCXASLOBWFNWMF-UHFFFAOYSA-N 1 2 377.467 -1.631 20 0 GAADLO CN1C(=S)N=NC1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731439150 1074902043 /nfs/dbraw/zinc/90/20/43/1074902043.db2.gz TVNSSWWHLMGMFF-GFCCVEGCSA-N 1 2 382.490 -1.057 20 0 GAADLO CN1C(=S)N=NC1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731439151 1074902198 /nfs/dbraw/zinc/90/21/98/1074902198.db2.gz TVNSSWWHLMGMFF-LBPRGKRZSA-N 1 2 382.490 -1.057 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731646628 637367669 /nfs/dbraw/zinc/36/76/69/637367669.db2.gz NGRVMHISMTXBGQ-CYBMUJFWSA-N 1 2 376.479 -1.777 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731646629 637368009 /nfs/dbraw/zinc/36/80/09/637368009.db2.gz NGRVMHISMTXBGQ-ZDUSSCGKSA-N 1 2 376.479 -1.777 20 0 GAADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000732091125 1074903318 /nfs/dbraw/zinc/90/33/18/1074903318.db2.gz SGKMFWZSJOUWAP-KBPBESRZSA-N 1 2 393.448 -1.187 20 0 GAADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000732091126 1074903273 /nfs/dbraw/zinc/90/32/73/1074903273.db2.gz SGKMFWZSJOUWAP-KGLIPLIRSA-N 1 2 393.448 -1.187 20 0 GAADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000732091127 1074903454 /nfs/dbraw/zinc/90/34/54/1074903454.db2.gz SGKMFWZSJOUWAP-UONOGXRCSA-N 1 2 393.448 -1.187 20 0 GAADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000732091128 1074903308 /nfs/dbraw/zinc/90/33/08/1074903308.db2.gz SGKMFWZSJOUWAP-ZIAGYGMSSA-N 1 2 393.448 -1.187 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CNC(=O)N2)CC1 ZINC000732357904 1074904371 /nfs/dbraw/zinc/90/43/71/1074904371.db2.gz CXLLADHLQSMCPD-LLVKDONJSA-N 1 2 388.388 -1.764 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000732357907 1074904389 /nfs/dbraw/zinc/90/43/89/1074904389.db2.gz CXLLADHLQSMCPD-NSHDSACASA-N 1 2 388.388 -1.764 20 0 GAADLO COc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000734015518 1074909859 /nfs/dbraw/zinc/90/98/59/1074909859.db2.gz KQYAQTHTRWMWSW-UHFFFAOYSA-N 1 2 384.462 -1.265 20 0 GAADLO NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000734838716 1074910569 /nfs/dbraw/zinc/91/05/69/1074910569.db2.gz QKCKYTROXMPGAQ-CABCVRRESA-N 1 2 396.469 -1.189 20 0 GAADLO NC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000734838719 1074910483 /nfs/dbraw/zinc/91/04/83/1074910483.db2.gz QKCKYTROXMPGAQ-GJZGRUSLSA-N 1 2 396.469 -1.189 20 0 GAADLO NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000734838721 1074910525 /nfs/dbraw/zinc/91/05/25/1074910525.db2.gz QKCKYTROXMPGAQ-HUUCEWRRSA-N 1 2 396.469 -1.189 20 0 GAADLO NC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000734838723 1074910473 /nfs/dbraw/zinc/91/04/73/1074910473.db2.gz QKCKYTROXMPGAQ-LSDHHAIUSA-N 1 2 396.469 -1.189 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735031281 1074910920 /nfs/dbraw/zinc/91/09/20/1074910920.db2.gz IPTZOXKVPSACBZ-UHFFFAOYSA-N 1 2 384.400 -1.277 20 0 GAADLO CC[S@](=O)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000735107848 637377507 /nfs/dbraw/zinc/37/75/07/637377507.db2.gz JYVIJENUTLOKDE-DEOSSOPVSA-N 1 2 395.551 -1.426 20 0 GAADLO CC[S@@](=O)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000735107849 637377172 /nfs/dbraw/zinc/37/71/72/637377172.db2.gz JYVIJENUTLOKDE-XMMPIXPASA-N 1 2 395.551 -1.426 20 0 GAADLO C[C@H](O)C[N@@H+](C)C1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736144093 598336327 /nfs/dbraw/zinc/33/63/27/598336327.db2.gz NBMVVKFVJZURNR-JTQLQIEISA-N 1 2 378.437 -1.455 20 0 GAADLO C[C@H](O)C[N@H+](C)C1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736144093 598336325 /nfs/dbraw/zinc/33/63/25/598336325.db2.gz NBMVVKFVJZURNR-JTQLQIEISA-N 1 2 378.437 -1.455 20 0 GAADLO C[C@@H](O)C[N@@H+](C)C1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736144094 598336224 /nfs/dbraw/zinc/33/62/24/598336224.db2.gz NBMVVKFVJZURNR-SNVBAGLBSA-N 1 2 378.437 -1.455 20 0 GAADLO C[C@@H](O)C[N@H+](C)C1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736144094 598336222 /nfs/dbraw/zinc/33/62/22/598336222.db2.gz NBMVVKFVJZURNR-SNVBAGLBSA-N 1 2 378.437 -1.455 20 0 GAADLO C[C@@H](O)C[NH+]1CCC(CN(C)c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736148564 598335659 /nfs/dbraw/zinc/33/56/59/598335659.db2.gz PVSNPVRVZPVWGP-LLVKDONJSA-N 1 2 392.464 -1.207 20 0 GAADLO C[C@H](O)C[NH+]1CCC(CN(C)c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736148566 598336301 /nfs/dbraw/zinc/33/63/01/598336301.db2.gz PVSNPVRVZPVWGP-NSHDSACASA-N 1 2 392.464 -1.207 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000736152714 1074914631 /nfs/dbraw/zinc/91/46/31/1074914631.db2.gz MEDKBBYXDIQYBL-GFCCVEGCSA-N 1 2 379.417 -2.253 20 0 GAADLO Cn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000736152726 1074914675 /nfs/dbraw/zinc/91/46/75/1074914675.db2.gz MEDKBBYXDIQYBL-LBPRGKRZSA-N 1 2 379.417 -2.253 20 0 GAADLO CCN1C(=O)CN(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000736270484 1074914502 /nfs/dbraw/zinc/91/45/02/1074914502.db2.gz VKMMEHZCCSWUNU-UHFFFAOYSA-N 1 2 388.494 -1.662 20 0 GAADLO CN(C)C(=O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000736746419 599259213 /nfs/dbraw/zinc/25/92/13/599259213.db2.gz HSIOXHPOPKPWRR-UHFFFAOYSA-N 1 2 394.461 -1.276 20 0 GAADLO CN(C)C(=O)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736746496 598592985 /nfs/dbraw/zinc/59/29/85/598592985.db2.gz JSROLNRLQCZELZ-UHFFFAOYSA-N 1 2 391.436 -1.771 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC(OCC[NH+](C)C)CC2)n(C)c1=O ZINC000736768353 598788389 /nfs/dbraw/zinc/78/83/89/598788389.db2.gz FQBPQRZWORHGKE-UHFFFAOYSA-N 1 2 378.437 -1.189 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@@H+](C)CCCO)CC2)n(C)c1=O ZINC000736798149 599060634 /nfs/dbraw/zinc/06/06/34/599060634.db2.gz RBHBOAQWADONLL-UHFFFAOYSA-N 1 2 378.437 -1.453 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@H+](C)CCCO)CC2)n(C)c1=O ZINC000736798149 599060630 /nfs/dbraw/zinc/06/06/30/599060630.db2.gz RBHBOAQWADONLL-UHFFFAOYSA-N 1 2 378.437 -1.453 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n(C)c1=O ZINC000736854202 599060853 /nfs/dbraw/zinc/06/08/53/599060853.db2.gz BLNLWSNYFDONOF-GFCCVEGCSA-N 1 2 389.464 -1.520 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n(C)c1=O ZINC000736854202 599060850 /nfs/dbraw/zinc/06/08/50/599060850.db2.gz BLNLWSNYFDONOF-GFCCVEGCSA-N 1 2 389.464 -1.520 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n(C)c1=O ZINC000736854203 599060175 /nfs/dbraw/zinc/06/01/75/599060175.db2.gz BLNLWSNYFDONOF-LBPRGKRZSA-N 1 2 389.464 -1.520 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n(C)c1=O ZINC000736854203 599060173 /nfs/dbraw/zinc/06/01/73/599060173.db2.gz BLNLWSNYFDONOF-LBPRGKRZSA-N 1 2 389.464 -1.520 20 0 GAADLO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736857707 598265788 /nfs/dbraw/zinc/26/57/88/598265788.db2.gz SSHABLOPGBOUPE-UHFFFAOYSA-N 1 2 380.434 -1.296 20 0 GAADLO CNC(=O)CC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000736871749 598524090 /nfs/dbraw/zinc/52/40/90/598524090.db2.gz YDLPCDGZQHAJDM-UHFFFAOYSA-N 1 2 391.436 -1.120 20 0 GAADLO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000736871749 598524089 /nfs/dbraw/zinc/52/40/89/598524089.db2.gz YDLPCDGZQHAJDM-UHFFFAOYSA-N 1 2 391.436 -1.120 20 0 GAADLO COCC[N@@H+](CCO)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000736994089 599586402 /nfs/dbraw/zinc/58/64/02/599586402.db2.gz DGVVINOIXXSFGC-UHFFFAOYSA-N 1 2 394.436 -1.248 20 0 GAADLO COCC[N@H+](CCO)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000736994089 599586401 /nfs/dbraw/zinc/58/64/01/599586401.db2.gz DGVVINOIXXSFGC-UHFFFAOYSA-N 1 2 394.436 -1.248 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](CCO)CCCO)CC2)o1 ZINC000737466920 598620415 /nfs/dbraw/zinc/62/04/15/598620415.db2.gz HIVUZUHZWMSWBF-UHFFFAOYSA-N 1 2 394.436 -1.512 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](CCO)CCCO)CC2)o1 ZINC000737466920 598620413 /nfs/dbraw/zinc/62/04/13/598620413.db2.gz HIVUZUHZWMSWBF-UHFFFAOYSA-N 1 2 394.436 -1.512 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[NH+](CC3CCOCC3)CC2)n(C)c1=O ZINC000737594830 599443227 /nfs/dbraw/zinc/44/32/27/599443227.db2.gz BFVJWLDFCBOJHN-UHFFFAOYSA-N 1 2 390.448 -1.187 20 0 GAADLO Cn1c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC000737596410 598374301 /nfs/dbraw/zinc/37/43/01/598374301.db2.gz NGXJBWDRLZUJIZ-JTQLQIEISA-N 1 2 391.436 -1.737 20 0 GAADLO Cn1c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC000737596410 598374299 /nfs/dbraw/zinc/37/42/99/598374299.db2.gz NGXJBWDRLZUJIZ-JTQLQIEISA-N 1 2 391.436 -1.737 20 0 GAADLO Cn1c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC000737596411 598374817 /nfs/dbraw/zinc/37/48/17/598374817.db2.gz NGXJBWDRLZUJIZ-SNVBAGLBSA-N 1 2 391.436 -1.737 20 0 GAADLO Cn1c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC000737596411 598374814 /nfs/dbraw/zinc/37/48/14/598374814.db2.gz NGXJBWDRLZUJIZ-SNVBAGLBSA-N 1 2 391.436 -1.737 20 0 GAADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000737738100 599073971 /nfs/dbraw/zinc/07/39/71/599073971.db2.gz DFMACUKFCKEUKF-GWCFXTLKSA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000737738100 599073967 /nfs/dbraw/zinc/07/39/67/599073967.db2.gz DFMACUKFCKEUKF-GWCFXTLKSA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000737738101 599073756 /nfs/dbraw/zinc/07/37/56/599073756.db2.gz DFMACUKFCKEUKF-GXFFZTMASA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000737738101 599073753 /nfs/dbraw/zinc/07/37/53/599073753.db2.gz DFMACUKFCKEUKF-GXFFZTMASA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000737738102 599073999 /nfs/dbraw/zinc/07/39/99/599073999.db2.gz DFMACUKFCKEUKF-MFKMUULPSA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000737738102 599073997 /nfs/dbraw/zinc/07/39/97/599073997.db2.gz DFMACUKFCKEUKF-MFKMUULPSA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000737738103 599074222 /nfs/dbraw/zinc/07/42/22/599074222.db2.gz DFMACUKFCKEUKF-ZWNOBZJWSA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000737738103 599074219 /nfs/dbraw/zinc/07/42/19/599074219.db2.gz DFMACUKFCKEUKF-ZWNOBZJWSA-N 1 2 394.461 -1.102 20 0 GAADLO NC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737752018 598403332 /nfs/dbraw/zinc/40/33/32/598403332.db2.gz CVIKKBNRZLVAGQ-UHFFFAOYSA-N 1 2 386.416 -1.384 20 0 GAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737752018 598403331 /nfs/dbraw/zinc/40/33/31/598403331.db2.gz CVIKKBNRZLVAGQ-UHFFFAOYSA-N 1 2 386.416 -1.384 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738019413 599387777 /nfs/dbraw/zinc/38/77/77/599387777.db2.gz HEHNBOUDGDGUNE-CYBMUJFWSA-N 1 2 386.416 -1.075 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738019414 599387368 /nfs/dbraw/zinc/38/73/68/599387368.db2.gz HEHNBOUDGDGUNE-ZDUSSCGKSA-N 1 2 386.416 -1.075 20 0 GAADLO CN1C(=O)C(=O)N(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1=O ZINC000738287955 1074915348 /nfs/dbraw/zinc/91/53/48/1074915348.db2.gz ANCHLCIGOZBCII-UHFFFAOYSA-N 1 2 389.416 -1.187 20 0 GAADLO O=S(=O)(CC[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)N1CCOCC1 ZINC000738330609 598286752 /nfs/dbraw/zinc/28/67/52/598286752.db2.gz RUGCBFLUHDYLLO-UHFFFAOYSA-N 1 2 393.433 -1.339 20 0 GAADLO O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000740739055 1074916007 /nfs/dbraw/zinc/91/60/07/1074916007.db2.gz TUPROCLUACKDGA-UHFFFAOYSA-N 1 2 391.457 -1.080 20 0 GAADLO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000741226560 1074916359 /nfs/dbraw/zinc/91/63/59/1074916359.db2.gz CBACHPAKBVEKDW-CABCVRRESA-N 1 2 383.445 -1.042 20 0 GAADLO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000741226563 1074916398 /nfs/dbraw/zinc/91/63/98/1074916398.db2.gz CBACHPAKBVEKDW-GJZGRUSLSA-N 1 2 383.445 -1.042 20 0 GAADLO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000741226566 1074916413 /nfs/dbraw/zinc/91/64/13/1074916413.db2.gz CBACHPAKBVEKDW-HUUCEWRRSA-N 1 2 383.445 -1.042 20 0 GAADLO CCOC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000741226569 1074916377 /nfs/dbraw/zinc/91/63/77/1074916377.db2.gz CBACHPAKBVEKDW-LSDHHAIUSA-N 1 2 383.445 -1.042 20 0 GAADLO CS(=O)(=O)CCOCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000741717260 1074917369 /nfs/dbraw/zinc/91/73/69/1074917369.db2.gz BRQHDYIFGFBKLP-AWEZNQCLSA-N 1 2 391.490 -1.656 20 0 GAADLO CS(=O)(=O)CCOCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000741717261 1074917377 /nfs/dbraw/zinc/91/73/77/1074917377.db2.gz BRQHDYIFGFBKLP-CQSZACIVSA-N 1 2 391.490 -1.656 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1 ZINC000742273613 637388007 /nfs/dbraw/zinc/38/80/07/637388007.db2.gz OAADTPHLFPEFFW-UHFFFAOYSA-N 1 2 388.475 -1.140 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2nonc2N)CC1 ZINC000744869940 1074920557 /nfs/dbraw/zinc/92/05/57/1074920557.db2.gz DPAKHRUFLNKJAQ-UHFFFAOYSA-N 1 2 387.360 -1.166 20 0 GAADLO COC[C@](C)(O)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000745317553 1074920947 /nfs/dbraw/zinc/92/09/47/1074920947.db2.gz MPSPVUJBXOSMMB-KRWDZBQOSA-N 1 2 392.416 -1.048 20 0 GAADLO COC[C@@](C)(O)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000745317558 1074921012 /nfs/dbraw/zinc/92/10/12/1074921012.db2.gz MPSPVUJBXOSMMB-QGZVFWFLSA-N 1 2 392.416 -1.048 20 0 GAADLO O=C(NCCN1C(=O)CSC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746317816 1074923103 /nfs/dbraw/zinc/92/31/03/1074923103.db2.gz HTDBMGXFQUDSIR-GFCCVEGCSA-N 1 2 384.458 -1.021 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000746445980 1074923877 /nfs/dbraw/zinc/92/38/77/1074923877.db2.gz DIDPPPFYRFXUCP-CYBMUJFWSA-N 1 2 392.416 -1.183 20 0 GAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000746445982 1074923824 /nfs/dbraw/zinc/92/38/24/1074923824.db2.gz DIDPPPFYRFXUCP-ZDUSSCGKSA-N 1 2 392.416 -1.183 20 0 GAADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000746446349 1074923891 /nfs/dbraw/zinc/92/38/91/1074923891.db2.gz GSNMTFHRLDYHRC-AWEZNQCLSA-N 1 2 392.416 -1.183 20 0 GAADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000746446350 1074923755 /nfs/dbraw/zinc/92/37/55/1074923755.db2.gz GSNMTFHRLDYHRC-CQSZACIVSA-N 1 2 392.416 -1.183 20 0 GAADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCCN3CCOC3=O)CC2)CC1 ZINC000749331403 637392328 /nfs/dbraw/zinc/39/23/28/637392328.db2.gz NHLSIMGNXANLGW-UHFFFAOYSA-N 1 2 375.495 -1.062 20 0 GAADLO CC(C)S(=O)(=O)CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000749797779 637351069 /nfs/dbraw/zinc/35/10/69/637351069.db2.gz WZVJSWBHHSQYGA-UHFFFAOYSA-N 1 2 382.552 -1.081 20 0 GAADLO Cc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(N(C)C)[nH+]1 ZINC000750256927 1073551423 /nfs/dbraw/zinc/55/14/23/1073551423.db2.gz YKTDODIFQMIXII-UHFFFAOYSA-N 1 2 398.489 -1.173 20 0 GAADLO C[C@@H]1C[N@@H+](CCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745667 1073552761 /nfs/dbraw/zinc/55/27/61/1073552761.db2.gz DBJVQOHKYNKGQG-CHWSQXEVSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@@H]1C[N@H+](CCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745667 1073552747 /nfs/dbraw/zinc/55/27/47/1073552747.db2.gz DBJVQOHKYNKGQG-CHWSQXEVSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@@H]1C[N@@H+](CCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745677 1073552520 /nfs/dbraw/zinc/55/25/20/1073552520.db2.gz DBJVQOHKYNKGQG-OLZOCXBDSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@@H]1C[N@H+](CCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745677 1073552513 /nfs/dbraw/zinc/55/25/13/1073552513.db2.gz DBJVQOHKYNKGQG-OLZOCXBDSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1C[N@@H+](CCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745680 1073552623 /nfs/dbraw/zinc/55/26/23/1073552623.db2.gz DBJVQOHKYNKGQG-QWHCGFSZSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1C[N@H+](CCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745680 1073552616 /nfs/dbraw/zinc/55/26/16/1073552616.db2.gz DBJVQOHKYNKGQG-QWHCGFSZSA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1C[N@@H+](CCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745896 1073552655 /nfs/dbraw/zinc/55/26/55/1073552655.db2.gz DBJVQOHKYNKGQG-STQMWFEESA-N 1 2 386.474 -1.011 20 0 GAADLO C[C@H]1C[N@H+](CCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCO1 ZINC000750745896 1073552646 /nfs/dbraw/zinc/55/26/46/1073552646.db2.gz DBJVQOHKYNKGQG-STQMWFEESA-N 1 2 386.474 -1.011 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000751432143 1073553727 /nfs/dbraw/zinc/55/37/27/1073553727.db2.gz UDORTPCVYXWWQR-CYBMUJFWSA-N 1 2 397.453 -1.017 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000751432145 1073553856 /nfs/dbraw/zinc/55/38/56/1073553856.db2.gz UDORTPCVYXWWQR-ZDUSSCGKSA-N 1 2 397.453 -1.017 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000751791172 1073554440 /nfs/dbraw/zinc/55/44/40/1073554440.db2.gz VZQKEXFJIJJQEH-AWEZNQCLSA-N 1 2 394.494 -2.017 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000751791179 1073554418 /nfs/dbraw/zinc/55/44/18/1073554418.db2.gz VZQKEXFJIJJQEH-CQSZACIVSA-N 1 2 394.494 -2.017 20 0 GAADLO Cn1c2ncn(CC(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2c(=O)n(C)c1=O ZINC000753893754 1073555980 /nfs/dbraw/zinc/55/59/80/1073555980.db2.gz AFZHQBYHGKXTRU-TXEJJXNPSA-N 1 2 377.401 -1.160 20 0 GAADLO Cn1c2ncn(CC(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c(=O)n(C)c1=O ZINC000753893754 1073555967 /nfs/dbraw/zinc/55/59/67/1073555967.db2.gz AFZHQBYHGKXTRU-TXEJJXNPSA-N 1 2 377.401 -1.160 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000756028781 1073558928 /nfs/dbraw/zinc/55/89/28/1073558928.db2.gz UGHUDLMWFFEWME-CYBMUJFWSA-N 1 2 385.465 -1.094 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000756028781 1073558908 /nfs/dbraw/zinc/55/89/08/1073558908.db2.gz UGHUDLMWFFEWME-CYBMUJFWSA-N 1 2 385.465 -1.094 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000756028798 1073558968 /nfs/dbraw/zinc/55/89/68/1073558968.db2.gz UGHUDLMWFFEWME-ZDUSSCGKSA-N 1 2 385.465 -1.094 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000756028798 1073558953 /nfs/dbraw/zinc/55/89/53/1073558953.db2.gz UGHUDLMWFFEWME-ZDUSSCGKSA-N 1 2 385.465 -1.094 20 0 GAADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)CC1 ZINC000757650119 1073560671 /nfs/dbraw/zinc/56/06/71/1073560671.db2.gz VDYFNAMRBPAHEU-UHFFFAOYSA-N 1 2 392.482 -1.709 20 0 GAADLO NC(=O)CN1CCCN(c2nccnc2N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000757843218 1073560763 /nfs/dbraw/zinc/56/07/63/1073560763.db2.gz NZACEDBMCRHUMF-UHFFFAOYSA-N 1 2 390.492 -1.529 20 0 GAADLO NC(=O)CN1CCCN(c2nccnc2N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000757843218 1073560750 /nfs/dbraw/zinc/56/07/50/1073560750.db2.gz NZACEDBMCRHUMF-UHFFFAOYSA-N 1 2 390.492 -1.529 20 0 GAADLO COCc1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)o1 ZINC000759726050 1073563051 /nfs/dbraw/zinc/56/30/51/1073563051.db2.gz KWYZKYNIFFEMMI-UHFFFAOYSA-N 1 2 390.466 -1.950 20 0 GAADLO COC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000761291224 637402429 /nfs/dbraw/zinc/40/24/29/637402429.db2.gz CQRHCSOYZDJEGE-LBPRGKRZSA-N 1 2 377.467 -1.633 20 0 GAADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCO1 ZINC000762279222 1074627014 /nfs/dbraw/zinc/62/70/14/1074627014.db2.gz ZHKMMCPWOHCYLZ-INIZCTEOSA-N 1 2 383.493 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-1.208 20 0 GAADLO COC(=O)CNC(=O)[C@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787003617 1075011285 /nfs/dbraw/zinc/01/12/85/1075011285.db2.gz ZMVALBPXVSYMAF-KBPBESRZSA-N 1 2 399.444 -1.079 20 0 GAADLO COC(=O)CNC(=O)[C@@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787003618 1075011198 /nfs/dbraw/zinc/01/11/98/1075011198.db2.gz ZMVALBPXVSYMAF-KGLIPLIRSA-N 1 2 399.444 -1.079 20 0 GAADLO COC(=O)CNC(=O)[C@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787003619 1075011191 /nfs/dbraw/zinc/01/11/91/1075011191.db2.gz ZMVALBPXVSYMAF-UONOGXRCSA-N 1 2 399.444 -1.079 20 0 GAADLO COC(=O)CNC(=O)[C@@H](C)OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787003620 1075011182 /nfs/dbraw/zinc/01/11/82/1075011182.db2.gz ZMVALBPXVSYMAF-ZIAGYGMSSA-N 1 2 399.444 -1.079 20 0 GAADLO CO[C@H]1CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000787217104 637421304 /nfs/dbraw/zinc/42/13/04/637421304.db2.gz VFESTXBYEGBWRX-AWEZNQCLSA-N 1 2 375.495 -1.699 20 0 GAADLO CO[C@@H]1CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000787217136 637421345 /nfs/dbraw/zinc/42/13/45/637421345.db2.gz VFESTXBYEGBWRX-CQSZACIVSA-N 1 2 375.495 -1.699 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC000788024687 1075012674 /nfs/dbraw/zinc/01/26/74/1075012674.db2.gz ACWZVWYKJPWWJK-JTQLQIEISA-N 1 2 387.404 -1.175 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC000788024699 1075012650 /nfs/dbraw/zinc/01/26/50/1075012650.db2.gz ACWZVWYKJPWWJK-SNVBAGLBSA-N 1 2 387.404 -1.175 20 0 GAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000788157296 1075013375 /nfs/dbraw/zinc/01/33/75/1075013375.db2.gz UTXUHOFXKFIRJF-JTQLQIEISA-N 1 2 389.372 -2.012 20 0 GAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000788157298 1075013340 /nfs/dbraw/zinc/01/33/40/1075013340.db2.gz UTXUHOFXKFIRJF-SNVBAGLBSA-N 1 2 389.372 -2.012 20 0 GAADLO C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000788637090 637423196 /nfs/dbraw/zinc/42/31/96/637423196.db2.gz LUPKHNABTHDQHJ-NEPJUHHUSA-N 1 2 375.451 -1.880 20 0 GAADLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000788637102 637422727 /nfs/dbraw/zinc/42/27/27/637422727.db2.gz LUPKHNABTHDQHJ-NWDGAFQWSA-N 1 2 375.451 -1.880 20 0 GAADLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000788637106 637423097 /nfs/dbraw/zinc/42/30/97/637423097.db2.gz LUPKHNABTHDQHJ-RYUDHWBXSA-N 1 2 375.451 -1.880 20 0 GAADLO C[C@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000788637111 637422756 /nfs/dbraw/zinc/42/27/56/637422756.db2.gz LUPKHNABTHDQHJ-VXGBXAGGSA-N 1 2 375.451 -1.880 20 0 GAADLO Cn1ncc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000792518626 1075017141 /nfs/dbraw/zinc/01/71/41/1075017141.db2.gz MJNZDHODJSVGFA-UHFFFAOYSA-N 1 2 385.388 -1.003 20 0 GAADLO NC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000796138505 1075816672 /nfs/dbraw/zinc/81/66/72/1075816672.db2.gz RLTKRSVLRRKGNX-UHFFFAOYSA-N 1 2 394.457 -1.139 20 0 GAADLO NC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000796138505 1075816663 /nfs/dbraw/zinc/81/66/63/1075816663.db2.gz RLTKRSVLRRKGNX-UHFFFAOYSA-N 1 2 394.457 -1.139 20 0 GAADLO Cn1c(N)c(C(=O)COC(=O)CCCC[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000798192274 1073570527 /nfs/dbraw/zinc/57/05/27/1073570527.db2.gz ODKIBHQQFRHPHR-UHFFFAOYSA-N 1 2 382.417 -1.105 20 0 GAADLO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000798193453 1073570427 /nfs/dbraw/zinc/57/04/27/1073570427.db2.gz KTBIOOAQJVFLNE-UHFFFAOYSA-N 1 2 391.494 -1.195 20 0 GAADLO Cn1nncc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000798797528 1073571469 /nfs/dbraw/zinc/57/14/69/1073571469.db2.gz QLOPXZDKFFNHEF-UHFFFAOYSA-N 1 2 385.388 -1.003 20 0 GAADLO COCCN1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000801015812 637429486 /nfs/dbraw/zinc/42/94/86/637429486.db2.gz AVVGIOZHWLFLBZ-UHFFFAOYSA-N 1 2 376.479 -1.047 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000801016813 637429026 /nfs/dbraw/zinc/42/90/26/637429026.db2.gz RQLOBPLZJSFMQL-UHFFFAOYSA-N 1 2 396.535 -1.125 20 0 GAADLO COC(=O)N1CCC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000804012230 1073454080 /nfs/dbraw/zinc/45/40/80/1073454080.db2.gz DCBMBGCGFSCYDN-KBPBESRZSA-N 1 2 386.449 -1.515 20 0 GAADLO COC(=O)N1CCC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000804012231 1073454171 /nfs/dbraw/zinc/45/41/71/1073454171.db2.gz DCBMBGCGFSCYDN-KGLIPLIRSA-N 1 2 386.449 -1.515 20 0 GAADLO COC(=O)N1CCC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000804012232 1073454276 /nfs/dbraw/zinc/45/42/76/1073454276.db2.gz DCBMBGCGFSCYDN-UONOGXRCSA-N 1 2 386.449 -1.515 20 0 GAADLO COC(=O)N1CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000804012233 1073454204 /nfs/dbraw/zinc/45/42/04/1073454204.db2.gz DCBMBGCGFSCYDN-ZIAGYGMSSA-N 1 2 386.449 -1.515 20 0 GAADLO C[S@@](=O)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000804081739 1074867656 /nfs/dbraw/zinc/86/76/56/1074867656.db2.gz PYWLZJWQMCQNFI-HHHXNRCGSA-N 1 2 395.485 -1.269 20 0 GAADLO C[S@](=O)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000804081742 1074867685 /nfs/dbraw/zinc/86/76/85/1074867685.db2.gz PYWLZJWQMCQNFI-MHZLTWQESA-N 1 2 395.485 -1.269 20 0 GAADLO NC(=O)CN1CCCN(c2cncc(N3CCC[N@@H+](CC(N)=O)CC3)n2)CC1 ZINC000804364226 1074990503 /nfs/dbraw/zinc/99/05/03/1074990503.db2.gz QKDOLSBUWVRNOR-UHFFFAOYSA-N 1 2 390.492 -1.529 20 0 GAADLO NC(=O)CN1CCCN(c2cncc(N3CCC[N@H+](CC(N)=O)CC3)n2)CC1 ZINC000804364226 1074990494 /nfs/dbraw/zinc/99/04/94/1074990494.db2.gz QKDOLSBUWVRNOR-UHFFFAOYSA-N 1 2 390.492 -1.529 20 0 GAADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805373761 1075024543 /nfs/dbraw/zinc/02/45/43/1075024543.db2.gz APCGGIKLICLDSN-GFCCVEGCSA-N 1 2 388.490 -1.699 20 0 GAADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805373768 1075024452 /nfs/dbraw/zinc/02/44/52/1075024452.db2.gz APCGGIKLICLDSN-LBPRGKRZSA-N 1 2 388.490 -1.699 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC(=O)N1C ZINC000805377258 1075024534 /nfs/dbraw/zinc/02/45/34/1075024534.db2.gz WOVQMMCTWJTOSV-GFCCVEGCSA-N 1 2 388.490 -1.699 20 0 GAADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC(=O)N1C ZINC000805377259 1075024734 /nfs/dbraw/zinc/02/47/34/1075024734.db2.gz WOVQMMCTWJTOSV-LBPRGKRZSA-N 1 2 388.490 -1.699 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000805377371 1075024697 /nfs/dbraw/zinc/02/46/97/1075024697.db2.gz ALUOBPDTMKGICM-UHFFFAOYSA-N 1 2 386.518 -1.082 20 0 GAADLO CCN1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000805380164 1075024654 /nfs/dbraw/zinc/02/46/54/1075024654.db2.gz FGVQMFWSLUVAPZ-UHFFFAOYSA-N 1 2 388.490 -1.698 20 0 GAADLO CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000805615779 1075025318 /nfs/dbraw/zinc/02/53/18/1075025318.db2.gz IHVARWGEDJKBDP-HHHXNRCGSA-N 1 2 393.473 -1.103 20 0 GAADLO CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000805615780 1075025292 /nfs/dbraw/zinc/02/52/92/1075025292.db2.gz IHVARWGEDJKBDP-MHZLTWQESA-N 1 2 393.473 -1.103 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806195021 637432231 /nfs/dbraw/zinc/43/22/31/637432231.db2.gz OJGGODGDBHFCGV-CANCMXDXSA-N 1 2 377.507 -1.199 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806195022 637432056 /nfs/dbraw/zinc/43/20/56/637432056.db2.gz OJGGODGDBHFCGV-SHZVTRLKSA-N 1 2 377.507 -1.199 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806195023 637431865 /nfs/dbraw/zinc/43/18/65/637431865.db2.gz OJGGODGDBHFCGV-YMXBGEKHSA-N 1 2 377.507 -1.199 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806195024 637431700 /nfs/dbraw/zinc/43/17/00/637431700.db2.gz OJGGODGDBHFCGV-ZJWNCGCPSA-N 1 2 377.507 -1.199 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806690313 1075026920 /nfs/dbraw/zinc/02/69/20/1075026920.db2.gz XDNBFTWJMLPGRW-CABCVRRESA-N 1 2 385.461 -1.060 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806690314 1075026906 /nfs/dbraw/zinc/02/69/06/1075026906.db2.gz XDNBFTWJMLPGRW-GJZGRUSLSA-N 1 2 385.461 -1.060 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806690315 1075026914 /nfs/dbraw/zinc/02/69/14/1075026914.db2.gz XDNBFTWJMLPGRW-HUUCEWRRSA-N 1 2 385.461 -1.060 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806690316 1075026970 /nfs/dbraw/zinc/02/69/70/1075026970.db2.gz XDNBFTWJMLPGRW-LSDHHAIUSA-N 1 2 385.461 -1.060 20 0 GAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000807281273 1075028514 /nfs/dbraw/zinc/02/85/14/1075028514.db2.gz SSCCIIKLVTXARP-LLVKDONJSA-N 1 2 388.384 -1.256 20 0 GAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000807281274 1075028959 /nfs/dbraw/zinc/02/89/59/1075028959.db2.gz SSCCIIKLVTXARP-NSHDSACASA-N 1 2 388.384 -1.256 20 0 GAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000807283424 1075028908 /nfs/dbraw/zinc/02/89/08/1075028908.db2.gz HJSKDAWHGDDTHG-LLVKDONJSA-N 1 2 384.418 -1.439 20 0 GAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000807283425 1075028863 /nfs/dbraw/zinc/02/88/63/1075028863.db2.gz HJSKDAWHGDDTHG-NSHDSACASA-N 1 2 384.418 -1.439 20 0 GAADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000807284282 1075028829 /nfs/dbraw/zinc/02/88/29/1075028829.db2.gz JUFVHTKQTHSLFA-GFCCVEGCSA-N 1 2 398.445 -1.049 20 0 GAADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000807284285 1075028924 /nfs/dbraw/zinc/02/89/24/1075028924.db2.gz JUFVHTKQTHSLFA-LBPRGKRZSA-N 1 2 398.445 -1.049 20 0 GAADLO Cn1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1 ZINC000808661015 1075031845 /nfs/dbraw/zinc/03/18/45/1075031845.db2.gz LRYGZTSALHMDPQ-UHFFFAOYSA-N 1 2 385.388 -1.003 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000809345361 1075033183 /nfs/dbraw/zinc/03/31/83/1075033183.db2.gz VSXYLQPEXLLUQU-UHFFFAOYSA-N 1 2 396.415 -1.036 20 0 GAADLO CCN(CC(=O)NC)c1nc(N2CCOCC2)nc(N(CC)CC(=O)NC)[nH+]1 ZINC000811810070 1075035829 /nfs/dbraw/zinc/03/58/29/1075035829.db2.gz DVKILJQHEVYNFC-UHFFFAOYSA-N 1 2 394.480 -1.147 20 0 GAADLO CCN(CC(=O)NC)c1nc(N(CC)CC(=O)NC)[nH+]c(N2CCOCC2)n1 ZINC000811810070 1075035822 /nfs/dbraw/zinc/03/58/22/1075035822.db2.gz DVKILJQHEVYNFC-UHFFFAOYSA-N 1 2 394.480 -1.147 20 0 GAADLO CCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000814983568 1075040038 /nfs/dbraw/zinc/04/00/38/1075040038.db2.gz MSGMUFSDCIFVBB-UHFFFAOYSA-N 1 2 385.494 -1.144 20 0 GAADLO O=C(CCN1C(=O)CCNC1=S)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000816927775 1075043071 /nfs/dbraw/zinc/04/30/71/1075043071.db2.gz KEWCKELTGLMPPW-CYBMUJFWSA-N 1 2 397.501 -1.467 20 0 GAADLO O=C(CCN1C(=O)CCNC1=S)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000816927776 1075043081 /nfs/dbraw/zinc/04/30/81/1075043081.db2.gz KEWCKELTGLMPPW-ZDUSSCGKSA-N 1 2 397.501 -1.467 20 0 GAADLO CON(C)C(=O)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000817792681 1075043930 /nfs/dbraw/zinc/04/39/30/1075043930.db2.gz HYCRGLMSPQIGBN-UHFFFAOYSA-N 1 2 392.482 -2.174 20 0 GAADLO CC1(C)OCC(CO)(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CO1 ZINC000819513654 1075046097 /nfs/dbraw/zinc/04/60/97/1075046097.db2.gz GPTVDRMCSOUBCO-AWEZNQCLSA-N 1 2 385.461 -1.203 20 0 GAADLO CC1(C)OCC(CO)(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CO1 ZINC000819513655 1075046044 /nfs/dbraw/zinc/04/60/44/1075046044.db2.gz GPTVDRMCSOUBCO-CQSZACIVSA-N 1 2 385.461 -1.203 20 0 GAADLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000819891612 606197950 /nfs/dbraw/zinc/19/79/50/606197950.db2.gz DGDZIYXXHCLZHI-UHFFFAOYSA-N 1 2 394.461 -1.100 20 0 GAADLO C=CC(=O)N(CC)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000820432682 1074903115 /nfs/dbraw/zinc/90/31/15/1074903115.db2.gz UMKIWQJGSJUVDI-UHFFFAOYSA-N 1 2 387.506 -1.343 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000820776717 606829417 /nfs/dbraw/zinc/82/94/17/606829417.db2.gz MZMBSEFFAUHWHT-CYBMUJFWSA-N 1 2 386.464 -1.059 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000820776718 606829201 /nfs/dbraw/zinc/82/92/01/606829201.db2.gz MZMBSEFFAUHWHT-ZDUSSCGKSA-N 1 2 386.464 -1.059 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000820789107 606852966 /nfs/dbraw/zinc/85/29/66/606852966.db2.gz VSGLNAAOQFPIAO-KBPBESRZSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000820789107 606852965 /nfs/dbraw/zinc/85/29/65/606852965.db2.gz VSGLNAAOQFPIAO-KBPBESRZSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000820789108 606853519 /nfs/dbraw/zinc/85/35/19/606853519.db2.gz VSGLNAAOQFPIAO-KGLIPLIRSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000820789108 606853516 /nfs/dbraw/zinc/85/35/16/606853516.db2.gz VSGLNAAOQFPIAO-KGLIPLIRSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000820789109 606853771 /nfs/dbraw/zinc/85/37/71/606853771.db2.gz VSGLNAAOQFPIAO-UONOGXRCSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000820789109 606853770 /nfs/dbraw/zinc/85/37/70/606853770.db2.gz VSGLNAAOQFPIAO-UONOGXRCSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000820789110 606853935 /nfs/dbraw/zinc/85/39/35/606853935.db2.gz VSGLNAAOQFPIAO-ZIAGYGMSSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000820789110 606853934 /nfs/dbraw/zinc/85/39/34/606853934.db2.gz VSGLNAAOQFPIAO-ZIAGYGMSSA-N 1 2 389.464 -1.140 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000820803864 606783441 /nfs/dbraw/zinc/78/34/41/606783441.db2.gz ISZLNBLWTHMDBD-LLVKDONJSA-N 1 2 398.431 -1.235 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000820803864 606783439 /nfs/dbraw/zinc/78/34/39/606783439.db2.gz ISZLNBLWTHMDBD-LLVKDONJSA-N 1 2 398.431 -1.235 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000820803865 606783405 /nfs/dbraw/zinc/78/34/05/606783405.db2.gz ISZLNBLWTHMDBD-NSHDSACASA-N 1 2 398.431 -1.235 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000820803865 606783404 /nfs/dbraw/zinc/78/34/04/606783404.db2.gz ISZLNBLWTHMDBD-NSHDSACASA-N 1 2 398.431 -1.235 20 0 GAADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1=O ZINC000820847915 1075048294 /nfs/dbraw/zinc/04/82/94/1075048294.db2.gz KKSQOHWIOZMWRJ-GFCCVEGCSA-N 1 2 391.432 -1.634 20 0 GAADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1=O ZINC000820847915 1075048292 /nfs/dbraw/zinc/04/82/92/1075048292.db2.gz KKSQOHWIOZMWRJ-GFCCVEGCSA-N 1 2 391.432 -1.634 20 0 GAADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1=O ZINC000820847916 1075048168 /nfs/dbraw/zinc/04/81/68/1075048168.db2.gz KKSQOHWIOZMWRJ-LBPRGKRZSA-N 1 2 391.432 -1.634 20 0 GAADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1=O ZINC000820847916 1075048164 /nfs/dbraw/zinc/04/81/64/1075048164.db2.gz KKSQOHWIOZMWRJ-LBPRGKRZSA-N 1 2 391.432 -1.634 20 0 GAADLO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000821182754 607214251 /nfs/dbraw/zinc/21/42/51/607214251.db2.gz YNZBVWDXEQJLMP-UHFFFAOYSA-N 1 2 376.425 -1.529 20 0 GAADLO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)C1 ZINC000821276319 607215031 /nfs/dbraw/zinc/21/50/31/607215031.db2.gz JCFXNYABZGLTFM-CYBMUJFWSA-N 1 2 390.452 -1.677 20 0 GAADLO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)C1 ZINC000821276319 607215030 /nfs/dbraw/zinc/21/50/30/607215030.db2.gz JCFXNYABZGLTFM-CYBMUJFWSA-N 1 2 390.452 -1.677 20 0 GAADLO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)C1 ZINC000821276323 607214891 /nfs/dbraw/zinc/21/48/91/607214891.db2.gz JCFXNYABZGLTFM-ZDUSSCGKSA-N 1 2 390.452 -1.677 20 0 GAADLO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)C1 ZINC000821276323 607214890 /nfs/dbraw/zinc/21/48/90/607214890.db2.gz JCFXNYABZGLTFM-ZDUSSCGKSA-N 1 2 390.452 -1.677 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCCN2CCC([NH+](C)C)CC2)n(C)c1=O ZINC000821582962 606402804 /nfs/dbraw/zinc/40/28/04/606402804.db2.gz DFOVCBRRCXNAOF-UHFFFAOYSA-N 1 2 377.453 -1.298 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000821595463 606230003 /nfs/dbraw/zinc/23/00/03/606230003.db2.gz XVNKRXOZMBUELW-LLVKDONJSA-N 1 2 397.461 -1.357 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1 ZINC000821595464 606229951 /nfs/dbraw/zinc/22/99/51/606229951.db2.gz XVNKRXOZMBUELW-NSHDSACASA-N 1 2 397.461 -1.357 20 0 GAADLO C[NH+]1CCN(c2ncccc2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000821628415 607211366 /nfs/dbraw/zinc/21/13/66/607211366.db2.gz ICYYQISTFQQAMM-UHFFFAOYSA-N 1 2 383.420 -1.079 20 0 GAADLO C[NH+]1CCN(c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)CC1 ZINC000821628584 607206391 /nfs/dbraw/zinc/20/63/91/607206391.db2.gz LSPBQYVJUANWEY-UHFFFAOYSA-N 1 2 383.420 -1.079 20 0 GAADLO C[NH+]1CCN(c2cc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccn2)CC1 ZINC000821628720 607208042 /nfs/dbraw/zinc/20/80/42/607208042.db2.gz OWXICAHAGRZTSI-UHFFFAOYSA-N 1 2 383.420 -1.079 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+](CCO)CCO)CC2)o1 ZINC000822423152 607449814 /nfs/dbraw/zinc/44/98/14/607449814.db2.gz ICPINQMCECNIDF-UHFFFAOYSA-N 1 2 380.409 -1.902 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H](O)C3)CC2)o1 ZINC000822423335 606508277 /nfs/dbraw/zinc/50/82/77/606508277.db2.gz JPILZXXYQUGYIY-TXEJJXNPSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@H](O)C3)CC2)o1 ZINC000822423335 606508275 /nfs/dbraw/zinc/50/82/75/606508275.db2.gz JPILZXXYQUGYIY-TXEJJXNPSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)[C@@H](O)C3)CC2)o1 ZINC000822423738 606186664 /nfs/dbraw/zinc/18/66/64/606186664.db2.gz NTCJIDPMZWBJCW-PHIMTYICSA-N 1 2 378.393 -2.151 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@@H](O)[C@@H](O)C3)CC2)o1 ZINC000822423738 606186662 /nfs/dbraw/zinc/18/66/62/606186662.db2.gz NTCJIDPMZWBJCW-PHIMTYICSA-N 1 2 378.393 -2.151 20 0 GAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1COC(=O)N1 ZINC000822509804 1075049749 /nfs/dbraw/zinc/04/97/49/1075049749.db2.gz OKBBTPQEBPBOKN-LBPRGKRZSA-N 1 2 383.430 -1.242 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)n(C)c1=O ZINC000822600416 607302334 /nfs/dbraw/zinc/30/23/34/607302334.db2.gz NSOFCYMKXJVTNC-LLVKDONJSA-N 1 2 376.421 -1.071 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(NC2CC[NH+]([C@H]3CCOC3)CC2)n(C)c1=O ZINC000822600417 607302437 /nfs/dbraw/zinc/30/24/37/607302437.db2.gz NSOFCYMKXJVTNC-NSHDSACASA-N 1 2 376.421 -1.071 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[NH+](C[C@H]3CCOC3)CC2)n(C)c1=O ZINC000822600668 606102716 /nfs/dbraw/zinc/10/27/16/606102716.db2.gz PCAXLNYOIYSMSK-LLVKDONJSA-N 1 2 376.421 -1.577 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[NH+](C[C@@H]3CCOC3)CC2)n(C)c1=O ZINC000822600669 606102587 /nfs/dbraw/zinc/10/25/87/606102587.db2.gz PCAXLNYOIYSMSK-NSHDSACASA-N 1 2 376.421 -1.577 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H](C[NH+]3CCOCC3)C2)n(C)c1=O ZINC000822600697 599051054 /nfs/dbraw/zinc/05/10/54/599051054.db2.gz PWUFNVJFLUMCGR-LLVKDONJSA-N 1 2 376.421 -1.577 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)n(C)c1=O ZINC000822600698 599051441 /nfs/dbraw/zinc/05/14/41/599051441.db2.gz PWUFNVJFLUMCGR-NSHDSACASA-N 1 2 376.421 -1.577 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n(C)c1=O ZINC000822601316 946135792 /nfs/dbraw/zinc/13/57/92/946135792.db2.gz XOSJQQUVIPWJNY-GFCCVEGCSA-N 1 2 390.448 -1.045 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)n(C)c1=O ZINC000822601316 946135783 /nfs/dbraw/zinc/13/57/83/946135783.db2.gz XOSJQQUVIPWJNY-GFCCVEGCSA-N 1 2 390.448 -1.045 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n(C)c1=O ZINC000822601320 946136113 /nfs/dbraw/zinc/13/61/13/946136113.db2.gz XOSJQQUVIPWJNY-LBPRGKRZSA-N 1 2 390.448 -1.045 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n(C)c1=O ZINC000822601320 946136105 /nfs/dbraw/zinc/13/61/05/946136105.db2.gz XOSJQQUVIPWJNY-LBPRGKRZSA-N 1 2 390.448 -1.045 20 0 GAADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000822632338 606290900 /nfs/dbraw/zinc/29/09/00/606290900.db2.gz VFZCUXBDTWEGLA-CYBMUJFWSA-N 1 2 388.432 -1.132 20 0 GAADLO Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000822632339 606290705 /nfs/dbraw/zinc/29/07/05/606290705.db2.gz VFZCUXBDTWEGLA-ZDUSSCGKSA-N 1 2 388.432 -1.132 20 0 GAADLO NC(=O)Cn1cc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000822873698 599135793 /nfs/dbraw/zinc/13/57/93/599135793.db2.gz GRDCLHUSZFUBKM-UHFFFAOYSA-N 1 2 396.415 -1.099 20 0 GAADLO NS(=O)(=O)c1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822899717 607303178 /nfs/dbraw/zinc/30/31/78/607303178.db2.gz PTIOONSZFQIOMZ-JTQLQIEISA-N 1 2 383.434 -1.381 20 0 GAADLO NS(=O)(=O)c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000822899718 607303351 /nfs/dbraw/zinc/30/33/51/607303351.db2.gz PTIOONSZFQIOMZ-SNVBAGLBSA-N 1 2 383.434 -1.381 20 0 GAADLO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822968941 607070547 /nfs/dbraw/zinc/07/05/47/607070547.db2.gz FFXZFMJBDWSGCW-SECBINFHSA-N 1 2 390.429 -1.101 20 0 GAADLO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822968941 607070545 /nfs/dbraw/zinc/07/05/45/607070545.db2.gz FFXZFMJBDWSGCW-SECBINFHSA-N 1 2 390.429 -1.101 20 0 GAADLO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822968946 607070526 /nfs/dbraw/zinc/07/05/26/607070526.db2.gz FFXZFMJBDWSGCW-VIFPVBQESA-N 1 2 390.429 -1.101 20 0 GAADLO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1sccc1-c1nn[nH]n1 ZINC000822968946 607070524 /nfs/dbraw/zinc/07/05/24/607070524.db2.gz FFXZFMJBDWSGCW-VIFPVBQESA-N 1 2 390.429 -1.101 20 0 GAADLO O=C([C@@H]1C[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000823505779 1075050809 /nfs/dbraw/zinc/05/08/09/1075050809.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 1 2 378.473 -1.823 20 0 GAADLO O=C([C@@H]1C[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000823505779 1075050806 /nfs/dbraw/zinc/05/08/06/1075050806.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 1 2 378.473 -1.823 20 0 GAADLO O=C([C@@H]1C[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000823505779 1075050804 /nfs/dbraw/zinc/05/08/04/1075050804.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 1 2 378.473 -1.823 20 0 GAADLO O=C([C@@H]1C[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000823505779 1075050799 /nfs/dbraw/zinc/05/07/99/1075050799.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 1 2 378.473 -1.823 20 0 GAADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541669 606153892 /nfs/dbraw/zinc/15/38/92/606153892.db2.gz RWGSRFSFAGOPDM-CHWSQXEVSA-N 1 2 387.400 -1.751 20 0 GAADLO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541669 606153890 /nfs/dbraw/zinc/15/38/90/606153890.db2.gz RWGSRFSFAGOPDM-CHWSQXEVSA-N 1 2 387.400 -1.751 20 0 GAADLO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541672 606154326 /nfs/dbraw/zinc/15/43/26/606154326.db2.gz RWGSRFSFAGOPDM-OLZOCXBDSA-N 1 2 387.400 -1.751 20 0 GAADLO O=C1NC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541672 606154325 /nfs/dbraw/zinc/15/43/25/606154325.db2.gz RWGSRFSFAGOPDM-OLZOCXBDSA-N 1 2 387.400 -1.751 20 0 GAADLO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541674 606153880 /nfs/dbraw/zinc/15/38/80/606153880.db2.gz RWGSRFSFAGOPDM-QWHCGFSZSA-N 1 2 387.400 -1.751 20 0 GAADLO O=C1NC[C@H]2C[N@H+](C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541674 606153878 /nfs/dbraw/zinc/15/38/78/606153878.db2.gz RWGSRFSFAGOPDM-QWHCGFSZSA-N 1 2 387.400 -1.751 20 0 GAADLO O=C1NC[C@H]2C[N@@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541675 606153951 /nfs/dbraw/zinc/15/39/51/606153951.db2.gz RWGSRFSFAGOPDM-STQMWFEESA-N 1 2 387.400 -1.751 20 0 GAADLO O=C1NC[C@H]2C[N@H+](C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCN2C1=O ZINC000823541675 606153949 /nfs/dbraw/zinc/15/39/49/606153949.db2.gz RWGSRFSFAGOPDM-STQMWFEESA-N 1 2 387.400 -1.751 20 0 GAADLO CC(C)[NH+]1CCC(NC(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)CC1 ZINC000824296617 608096259 /nfs/dbraw/zinc/09/62/59/608096259.db2.gz JQABMKMGSBZFLE-UHFFFAOYSA-N 1 2 376.421 -1.284 20 0 GAADLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000824999344 608258501 /nfs/dbraw/zinc/25/85/01/608258501.db2.gz FSDWQYIODNMCMI-CYBMUJFWSA-N 1 2 386.464 -1.059 20 0 GAADLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000824999345 608258455 /nfs/dbraw/zinc/25/84/55/608258455.db2.gz FSDWQYIODNMCMI-ZDUSSCGKSA-N 1 2 386.464 -1.059 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825902550 608226768 /nfs/dbraw/zinc/22/67/68/608226768.db2.gz VQWRZAJIECRJKN-CYBMUJFWSA-N 1 2 376.421 -1.175 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825902551 608226343 /nfs/dbraw/zinc/22/63/43/608226343.db2.gz VQWRZAJIECRJKN-ZDUSSCGKSA-N 1 2 376.421 -1.175 20 0 GAADLO Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cccc1-c1nn[nH]n1 ZINC000826240931 608813500 /nfs/dbraw/zinc/81/35/00/608813500.db2.gz MDYOCNRVIMQIJA-GFCCVEGCSA-N 1 2 389.416 -1.077 20 0 GAADLO Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCOCC2)cccc1-c1nn[nH]n1 ZINC000826240932 608814120 /nfs/dbraw/zinc/81/41/20/608814120.db2.gz MDYOCNRVIMQIJA-LBPRGKRZSA-N 1 2 389.416 -1.077 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000826276864 608813826 /nfs/dbraw/zinc/81/38/26/608813826.db2.gz AKFKXQRCQDTKEY-CYBMUJFWSA-N 1 2 389.416 -1.077 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000826276865 608813691 /nfs/dbraw/zinc/81/36/91/608813691.db2.gz AKFKXQRCQDTKEY-ZDUSSCGKSA-N 1 2 389.416 -1.077 20 0 GAADLO Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826299155 608814068 /nfs/dbraw/zinc/81/40/68/608814068.db2.gz UEZQOJOOKJHBNB-GFCCVEGCSA-N 1 2 389.416 -1.077 20 0 GAADLO Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826299156 608814205 /nfs/dbraw/zinc/81/42/05/608814205.db2.gz UEZQOJOOKJHBNB-LBPRGKRZSA-N 1 2 389.416 -1.077 20 0 GAADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000826411684 608116897 /nfs/dbraw/zinc/11/68/97/608116897.db2.gz JBBZLVXCFVSVJI-AWEZNQCLSA-N 1 2 389.416 -1.594 20 0 GAADLO O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000826411685 608116744 /nfs/dbraw/zinc/11/67/44/608116744.db2.gz JBBZLVXCFVSVJI-CQSZACIVSA-N 1 2 389.416 -1.594 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000826425787 607510047 /nfs/dbraw/zinc/51/00/47/607510047.db2.gz TYCURWZASOJRCT-AWEZNQCLSA-N 1 2 383.416 -1.006 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826425787 607510045 /nfs/dbraw/zinc/51/00/45/607510045.db2.gz TYCURWZASOJRCT-AWEZNQCLSA-N 1 2 383.416 -1.006 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000826425788 607510350 /nfs/dbraw/zinc/51/03/50/607510350.db2.gz TYCURWZASOJRCT-CQSZACIVSA-N 1 2 383.416 -1.006 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826425788 607510349 /nfs/dbraw/zinc/51/03/49/607510349.db2.gz TYCURWZASOJRCT-CQSZACIVSA-N 1 2 383.416 -1.006 20 0 GAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000826432577 608814994 /nfs/dbraw/zinc/81/49/94/608814994.db2.gz FQRITSFIDSCGJO-LLVKDONJSA-N 1 2 393.379 -1.246 20 0 GAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000826432578 608815264 /nfs/dbraw/zinc/81/52/64/608815264.db2.gz FQRITSFIDSCGJO-NSHDSACASA-N 1 2 393.379 -1.246 20 0 GAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826432679 608814561 /nfs/dbraw/zinc/81/45/61/608814561.db2.gz HVADAWHMGQIVJV-CYBMUJFWSA-N 1 2 375.389 -1.386 20 0 GAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826432680 608814884 /nfs/dbraw/zinc/81/48/84/608814884.db2.gz HVADAWHMGQIVJV-ZDUSSCGKSA-N 1 2 375.389 -1.386 20 0 GAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826432720 608815023 /nfs/dbraw/zinc/81/50/23/608815023.db2.gz IZDVZRJZEWOQGW-LLVKDONJSA-N 1 2 393.379 -1.246 20 0 GAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826432721 608814866 /nfs/dbraw/zinc/81/48/66/608814866.db2.gz IZDVZRJZEWOQGW-NSHDSACASA-N 1 2 393.379 -1.246 20 0 GAADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826433163 608814878 /nfs/dbraw/zinc/81/48/78/608814878.db2.gz XABWQRKDFSXFOY-CYBMUJFWSA-N 1 2 375.389 -1.386 20 0 GAADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826433164 608814952 /nfs/dbraw/zinc/81/49/52/608814952.db2.gz XABWQRKDFSXFOY-ZDUSSCGKSA-N 1 2 375.389 -1.386 20 0 GAADLO O=C(CN1CCNC(=O)C1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826481093 609282150 /nfs/dbraw/zinc/28/21/50/609282150.db2.gz HLSHVOZXSBPPML-UHFFFAOYSA-N 1 2 384.444 -1.057 20 0 GAADLO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000826987214 637443923 /nfs/dbraw/zinc/44/39/23/637443923.db2.gz JCIPLMCSKVVKSN-LLVKDONJSA-N 1 2 379.483 -1.293 20 0 GAADLO CNS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000826987214 637443916 /nfs/dbraw/zinc/44/39/16/637443916.db2.gz JCIPLMCSKVVKSN-LLVKDONJSA-N 1 2 379.483 -1.293 20 0 GAADLO CNS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000826987217 637444150 /nfs/dbraw/zinc/44/41/50/637444150.db2.gz JCIPLMCSKVVKSN-NSHDSACASA-N 1 2 379.483 -1.293 20 0 GAADLO CNS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000826987217 637444142 /nfs/dbraw/zinc/44/41/42/637444142.db2.gz JCIPLMCSKVVKSN-NSHDSACASA-N 1 2 379.483 -1.293 20 0 GAADLO O=C(CN1CC[NH2+]CC1=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000827214895 1073482193 /nfs/dbraw/zinc/48/21/93/1073482193.db2.gz MFYKOPFGKWJWEW-UHFFFAOYSA-N 1 2 391.453 -1.289 20 0 GAADLO CN(C)S(=O)(=O)N1CC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000827638427 637444328 /nfs/dbraw/zinc/44/43/28/637444328.db2.gz FBZMXDRDVAUDCN-KGLIPLIRSA-N 1 2 376.479 -1.527 20 0 GAADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000827646930 1073510227 /nfs/dbraw/zinc/51/02/27/1073510227.db2.gz 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20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC000970677255 1073506871 /nfs/dbraw/zinc/50/68/71/1073506871.db2.gz SQRGMKOZGZRDDL-VWFAINMRSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1O ZINC000970687872 1073508351 /nfs/dbraw/zinc/50/83/51/1073508351.db2.gz AOGLBLYUYYPING-CVMIBZJCSA-N 1 2 386.412 -1.381 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1O ZINC000970689560 1073508373 /nfs/dbraw/zinc/50/83/73/1073508373.db2.gz VIWAWPFRABKRPR-BHPKHCPMSA-N 1 2 390.444 -2.357 20 0 GAADLO Cn1cc(CCC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)nn1 ZINC000970689792 1073508220 /nfs/dbraw/zinc/50/82/20/1073508220.db2.gz YMRYRFBTGWKOJS-KQTLUZQSSA-N 1 2 387.444 -1.027 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1O ZINC000970695756 1073509013 /nfs/dbraw/zinc/50/90/13/1073509013.db2.gz BOCJRFGMFPXGKS-BYNQJWBRSA-N 1 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LKKQELZACJHMIQ-KQTLUZQSSA-N 1 2 375.429 -1.310 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1O ZINC000970696148 1073509706 /nfs/dbraw/zinc/50/97/06/1073509706.db2.gz MDKLWMCGCCNRBM-KQTLUZQSSA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1O ZINC000970696173 1073509579 /nfs/dbraw/zinc/50/95/79/1073509579.db2.gz NGGWIBRPWSSQRC-BHPKHCPMSA-N 1 2 390.444 -1.373 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O ZINC000970696294 1073509340 /nfs/dbraw/zinc/50/93/40/1073509340.db2.gz PKIISJWVJNFBMK-BHPKHCPMSA-N 1 2 375.429 -1.166 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1O ZINC000970696904 1073509428 /nfs/dbraw/zinc/50/94/28/1073509428.db2.gz YTKIWHOCHOCURP-UZWSLXQKSA-N 1 2 375.389 -1.791 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1O ZINC000970696961 1073509467 /nfs/dbraw/zinc/50/94/67/1073509467.db2.gz ZHFVJYNCRIBMFB-UZWSLXQKSA-N 1 2 375.385 -1.183 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1O ZINC000970696971 1073509559 /nfs/dbraw/zinc/50/95/59/1073509559.db2.gz ZHWUOXRVCUFMFR-UZWSLXQKSA-N 1 2 390.400 -2.237 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1O ZINC000970698066 1073508694 /nfs/dbraw/zinc/50/86/94/1073508694.db2.gz HPVMQOJQBHBPAJ-BLTAXRJOSA-N 1 2 388.428 -1.438 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1O ZINC000970698778 1073509311 /nfs/dbraw/zinc/50/93/11/1073509311.db2.gz NDGVXUQXNQPKPT-BHPKHCPMSA-N 1 2 391.428 -1.930 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1O ZINC000970699178 1073509601 /nfs/dbraw/zinc/50/96/01/1073509601.db2.gz RUJUMZDMVAJXPN-CVMIBZJCSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1O ZINC000970703834 1073509995 /nfs/dbraw/zinc/50/99/95/1073509995.db2.gz CMENALQUBYEOHJ-BLTAXRJOSA-N 1 2 386.412 -1.381 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1O ZINC000970704213 1073510217 /nfs/dbraw/zinc/51/02/17/1073510217.db2.gz LTSUMGJOBJYATC-UZWSLXQKSA-N 1 2 390.400 -2.237 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1O ZINC000970704254 1073510190 /nfs/dbraw/zinc/51/01/90/1073510190.db2.gz MPTSBGBVEFAOHX-CVMIBZJCSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O ZINC000970704531 1073510247 /nfs/dbraw/zinc/51/02/47/1073510247.db2.gz UJLCLTYVMMWZCG-BYNQJWBRSA-N 1 2 382.442 -1.744 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1O ZINC000970706879 1073510042 /nfs/dbraw/zinc/51/00/42/1073510042.db2.gz OTHLIUMWFMMIBS-CVMIBZJCSA-N 1 2 386.412 -1.381 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC000970739461 1073513592 /nfs/dbraw/zinc/51/35/92/1073513592.db2.gz INXCZAZGQAYIIE-CVMIBZJCSA-N 1 2 386.412 -1.381 20 0 GAADLO CN1CC(=O)N(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)C1=O ZINC000970762020 1073517250 /nfs/dbraw/zinc/51/72/50/1073517250.db2.gz GJGOUVUFYCYECJ-WFFHOREQSA-N 1 2 390.400 -1.905 20 0 GAADLO CN1CC(=O)N(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)C1=O ZINC000970762020 1073517239 /nfs/dbraw/zinc/51/72/39/1073517239.db2.gz GJGOUVUFYCYECJ-WFFHOREQSA-N 1 2 390.400 -1.905 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000970762109 1073517155 /nfs/dbraw/zinc/51/71/55/1073517155.db2.gz AGNZGDXZLDFLGQ-IQIPOGNMSA-N 1 2 376.373 -2.247 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000970762109 1073517144 /nfs/dbraw/zinc/51/71/44/1073517144.db2.gz AGNZGDXZLDFLGQ-IQIPOGNMSA-N 1 2 376.373 -2.247 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC000970762919 1073516501 /nfs/dbraw/zinc/51/65/01/1073516501.db2.gz KGHZYVAEWFVETH-UZWSLXQKSA-N 1 2 390.400 -2.237 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)O1 ZINC000970951961 1073532084 /nfs/dbraw/zinc/53/20/84/1073532084.db2.gz CUZHOYJZVJACBR-MQYQWHSLSA-N 1 2 379.417 -1.547 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)O1 ZINC000970956171 1073532135 /nfs/dbraw/zinc/53/21/35/1073532135.db2.gz BUBTWJWZQXOFMG-ZOBORPQBSA-N 1 2 379.417 -1.724 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@@H]1O ZINC000970958652 1073531881 /nfs/dbraw/zinc/53/18/81/1073531881.db2.gz VCUVPQXDFFWTBG-JJAZEVLHSA-N 1 2 388.428 -1.058 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1O ZINC000970959367 1073532611 /nfs/dbraw/zinc/53/26/11/1073532611.db2.gz IEFBRQWLEHPWGC-DNIRFERGSA-N 1 2 392.334 -1.014 20 0 GAADLO NC(=O)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000974763807 1073890098 /nfs/dbraw/zinc/89/00/98/1073890098.db2.gz QDKOYXBNAODEFP-TUVASFSCSA-N 1 2 380.445 -1.589 20 0 GAADLO NC(=O)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]21 ZINC000974956263 1073891054 /nfs/dbraw/zinc/89/10/54/1073891054.db2.gz OQPDIZMJWFZZCH-TUVASFSCSA-N 1 2 380.445 -1.589 20 0 GAADLO NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000977063358 1073910316 /nfs/dbraw/zinc/91/03/16/1073910316.db2.gz NXRZIBJYZOTHLF-TUVASFSCSA-N 1 2 382.461 -1.105 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)nc1=O ZINC000978533553 1073921082 /nfs/dbraw/zinc/92/10/82/1073921082.db2.gz XEUMIAFRLOTRFU-KGHMOOGCSA-N 1 2 377.445 -1.046 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)nc1=O ZINC000978533553 1073921076 /nfs/dbraw/zinc/92/10/76/1073921076.db2.gz XEUMIAFRLOTRFU-KGHMOOGCSA-N 1 2 377.445 -1.046 20 0 GAADLO NC(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000981911148 1073948843 /nfs/dbraw/zinc/94/88/43/1073948843.db2.gz VJTGKDDGRPNQLB-YJNKXOJESA-N 1 2 382.461 -1.247 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC000982349413 1073960011 /nfs/dbraw/zinc/96/00/11/1073960011.db2.gz VMUDEQDRWITFBX-CBBWQLFWSA-N 1 2 385.428 -1.151 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC000982403105 1073964167 /nfs/dbraw/zinc/96/41/67/1073964167.db2.gz FTGKAZNQSVECFL-ZOBORPQBSA-N 1 2 385.428 -1.082 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC000982415992 1073965449 /nfs/dbraw/zinc/96/54/49/1073965449.db2.gz DNRAYUBWOMTEBA-YIYPIFLZSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2NC(=O)Cn2cc[nH+]c2)cn1 ZINC000982438841 1073975980 /nfs/dbraw/zinc/97/59/80/1073975980.db2.gz GAYVBWVFIFIONG-CBBWQLFWSA-N 1 2 385.428 -1.151 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000982439246 1073975954 /nfs/dbraw/zinc/97/59/54/1073975954.db2.gz JPHWELQQSIDTTO-CBBWQLFWSA-N 1 2 385.428 -1.082 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2NC(=O)C(N)=O)cn1 ZINC000982440759 1073976400 /nfs/dbraw/zinc/97/64/00/1073976400.db2.gz FNRAFGQNSPXJJI-YIYPIFLZSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000982441847 1073976444 /nfs/dbraw/zinc/97/64/44/1073976444.db2.gz QBBFUZMYAOJKMU-ZOBORPQBSA-N 1 2 385.428 -1.082 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC000982448454 1073977579 /nfs/dbraw/zinc/97/75/79/1073977579.db2.gz ADJVEXGIVVRBRV-CBBWQLFWSA-N 1 2 385.428 -1.082 20 0 GAADLO CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000983035945 1074027901 /nfs/dbraw/zinc/02/79/01/1074027901.db2.gz SFLXXTHFJOEFEZ-LXTVHRRPSA-N 1 2 393.444 -1.104 20 0 GAADLO CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000983227478 1074055396 /nfs/dbraw/zinc/05/53/96/1074055396.db2.gz KKBLLCOTVUODHF-XJFOESAGSA-N 1 2 393.444 -1.035 20 0 GAADLO CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000983372358 1074096769 /nfs/dbraw/zinc/09/67/69/1074096769.db2.gz IZWCWJQWCNKPFC-FAAHXZRKSA-N 1 2 393.444 -1.035 20 0 GAADLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1C(=O)C(N)=O ZINC000985255715 1074233015 /nfs/dbraw/zinc/23/30/15/1074233015.db2.gz ASARGGAGDQACGM-BARDWOONSA-N 1 2 382.461 -1.153 20 0 GAADLO CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000985369359 1074234701 /nfs/dbraw/zinc/23/47/01/1074234701.db2.gz JVEQRPPQCLAKQO-BARDWOONSA-N 1 2 382.461 -1.153 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1C(=O)CC(N)=O ZINC000989275154 1074327332 /nfs/dbraw/zinc/32/73/32/1074327332.db2.gz YWPSPLNXXRTEDZ-KBXIAJHMSA-N 1 2 382.461 -1.153 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC000990891696 1074426664 /nfs/dbraw/zinc/42/66/64/1074426664.db2.gz APUIKIWEZIMFOP-AEIGPULVSA-N 1 2 389.416 -1.084 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC000990891897 1074426241 /nfs/dbraw/zinc/42/62/41/1074426241.db2.gz DKETZUACZFDHAA-ZWUHOBOKSA-N 1 2 389.416 -1.084 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC000990892355 1074426618 /nfs/dbraw/zinc/42/66/18/1074426618.db2.gz GFCDECWBUWKBTI-FQLMCAECSA-N 1 2 389.416 -1.153 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC000990900065 1074428132 /nfs/dbraw/zinc/42/81/32/1074428132.db2.gz BXLUUQVLKXUYTK-FQLMCAECSA-N 1 2 389.416 -1.153 20 0 GAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990902094 1074428569 /nfs/dbraw/zinc/42/85/69/1074428569.db2.gz PEFAWSXHKYIXLT-RUZUBIRVSA-N 1 2 389.420 -1.703 20 0 GAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cnn[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990902094 1074428563 /nfs/dbraw/zinc/42/85/63/1074428563.db2.gz PEFAWSXHKYIXLT-RUZUBIRVSA-N 1 2 389.420 -1.703 20 0 GAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](n3ccnn3)C2)O1 ZINC000990902094 1074428555 /nfs/dbraw/zinc/42/85/55/1074428555.db2.gz PEFAWSXHKYIXLT-RUZUBIRVSA-N 1 2 389.420 -1.703 20 0 GAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](n3ccnn3)C2)O1 ZINC000990902094 1074428545 /nfs/dbraw/zinc/42/85/45/1074428545.db2.gz PEFAWSXHKYIXLT-RUZUBIRVSA-N 1 2 389.420 -1.703 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990904465 1074428716 /nfs/dbraw/zinc/42/87/16/1074428716.db2.gz LAZNUPYDNSIMNC-RQJABVFESA-N 1 2 386.416 -1.756 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC000990916591 1074429193 /nfs/dbraw/zinc/42/91/93/1074429193.db2.gz RZMMFVJZBJZYCD-WVWOOGAGSA-N 1 2 386.416 -1.458 20 0 GAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990922248 1074429941 /nfs/dbraw/zinc/42/99/41/1074429941.db2.gz DRHKDADALRCTMA-FVCCEPFGSA-N 1 2 389.420 -1.703 20 0 GAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3ncn[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990922248 1074429938 /nfs/dbraw/zinc/42/99/38/1074429938.db2.gz DRHKDADALRCTMA-FVCCEPFGSA-N 1 2 389.420 -1.703 20 0 GAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990922248 1074429936 /nfs/dbraw/zinc/42/99/36/1074429936.db2.gz DRHKDADALRCTMA-FVCCEPFGSA-N 1 2 389.420 -1.703 20 0 GAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](NC(=O)c3nnc[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC000990922248 1074429933 /nfs/dbraw/zinc/42/99/33/1074429933.db2.gz DRHKDADALRCTMA-FVCCEPFGSA-N 1 2 389.420 -1.703 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC000990939251 1074431204 /nfs/dbraw/zinc/43/12/04/1074431204.db2.gz IFPGSGVXHAPCQB-ZWUHOBOKSA-N 1 2 389.416 -1.084 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC000990960177 1074432805 /nfs/dbraw/zinc/43/28/05/1074432805.db2.gz FVGWAUTWEZGHOU-XQHKEYJVSA-N 1 2 386.416 -1.377 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC000990960364 1074432900 /nfs/dbraw/zinc/43/29/00/1074432900.db2.gz GVTIAIJGVFKRBW-RQJABVFESA-N 1 2 386.416 -1.446 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC000990960748 1074433383 /nfs/dbraw/zinc/43/33/83/1074433383.db2.gz MORDMDDAYUZUMB-RQJABVFESA-N 1 2 386.416 -1.377 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC000990960748 1074433379 /nfs/dbraw/zinc/43/33/79/1074433379.db2.gz MORDMDDAYUZUMB-RQJABVFESA-N 1 2 386.416 -1.377 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990960782 1074433366 /nfs/dbraw/zinc/43/33/66/1074433366.db2.gz NOIGDHWXTOOPJN-RQJABVFESA-N 1 2 386.416 -1.756 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC000990961115 1074433856 /nfs/dbraw/zinc/43/38/56/1074433856.db2.gz UIHLKOGUMPLFRB-WVWOOGAGSA-N 1 2 386.416 -1.458 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC000990962726 1074435347 /nfs/dbraw/zinc/43/53/47/1074435347.db2.gz GTEDCDCFZNAZCD-BYNQJWBRSA-N 1 2 386.416 -1.441 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC000990973937 1074436547 /nfs/dbraw/zinc/43/65/47/1074436547.db2.gz PZYDTLDBGFBVFR-AEIGPULVSA-N 1 2 389.416 -1.084 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC000993547922 1074639070 /nfs/dbraw/zinc/63/90/70/1074639070.db2.gz GOGKXDYSJNRXJA-UKTARXLSSA-N 1 2 385.428 -1.151 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000993557939 1074639611 /nfs/dbraw/zinc/63/96/11/1074639611.db2.gz RNAGECAKKYLEGW-NRWUCQMLSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2NC(=O)Cn2cc[nH+]c2)c1 ZINC000993563931 1074640185 /nfs/dbraw/zinc/64/01/85/1074640185.db2.gz BFRVJOKKXJQFMK-UKTARXLSSA-N 1 2 385.428 -1.151 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2NC(=O)C(N)=O)c1 ZINC000993564180 1074640213 /nfs/dbraw/zinc/64/02/13/1074640213.db2.gz QSKSLFNYGQKQBE-NRWUCQMLSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC000993581097 1074638891 /nfs/dbraw/zinc/63/88/91/1074638891.db2.gz OXNRYEZBRYXWOC-UKTARXLSSA-N 1 2 385.428 -1.082 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993583674 1074639087 /nfs/dbraw/zinc/63/90/87/1074639087.db2.gz LEHBDPBOSALHOL-YVECIDJPSA-N 1 2 389.412 -1.160 20 0 GAADLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000993585868 1074639588 /nfs/dbraw/zinc/63/95/88/1074639588.db2.gz ZUJAVMGYLAVBCA-MHDGFBEUSA-N 1 2 379.417 -1.490 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993586814 1074641160 /nfs/dbraw/zinc/64/11/60/1074641160.db2.gz MSGWFIQPGXJNBX-XJFOESAGSA-N 1 2 385.428 -1.151 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993589659 1074641764 /nfs/dbraw/zinc/64/17/64/1074641764.db2.gz DEDNKOBRWHCVFG-YVECIDJPSA-N 1 2 385.428 -1.001 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993592097 1074641888 /nfs/dbraw/zinc/64/18/88/1074641888.db2.gz GZTXAQBKZJVDEF-WRWGMCAJSA-N 1 2 387.404 -2.361 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1c1c[nH+]cn1C ZINC000993592144 1074641905 /nfs/dbraw/zinc/64/19/05/1074641905.db2.gz HVNROLHCMHQQHA-JXFSHQFZSA-N 1 2 388.432 -1.058 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000993593750 1074641925 /nfs/dbraw/zinc/64/19/25/1074641925.db2.gz RBTVADRAFBSXFH-ZBYUQBLASA-N 1 2 386.416 -1.446 20 0 GAADLO Cn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 ZINC000993595352 1074641826 /nfs/dbraw/zinc/64/18/26/1074641826.db2.gz YSWQLHUINJTVNN-XJFOESAGSA-N 1 2 385.428 -1.001 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993599021 1074640568 /nfs/dbraw/zinc/64/05/68/1074640568.db2.gz FEHSAGQGGRZGND-FDYHWXHSSA-N 1 2 390.444 -1.379 20 0 GAADLO Cn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC000993600354 1074640515 /nfs/dbraw/zinc/64/05/15/1074640515.db2.gz CSUHHMYJFFVWQE-WRWGMCAJSA-N 1 2 386.416 -1.606 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993600426 1074640625 /nfs/dbraw/zinc/64/06/25/1074640625.db2.gz DONFFOFTCHTSNH-WRWGMCAJSA-N 1 2 386.416 -1.606 20 0 GAADLO Cn1cnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC000993600439 1074640552 /nfs/dbraw/zinc/64/05/52/1074640552.db2.gz ARYNFRCOAHQIKC-WRWGMCAJSA-N 1 2 386.416 -1.606 20 0 GAADLO Cn1cnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC000993601010 1074640681 /nfs/dbraw/zinc/64/06/81/1074640681.db2.gz JZMWCHPLVXLPOF-YVECIDJPSA-N 1 2 385.428 -1.001 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000993601069 1074640529 /nfs/dbraw/zinc/64/05/29/1074640529.db2.gz NQYFQEAYFAHYBI-VCDKRKBESA-N 1 2 392.416 -2.261 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000993601132 1074640605 /nfs/dbraw/zinc/64/06/05/1074640605.db2.gz OWNVVTNXJQSIRP-YVECIDJPSA-N 1 2 390.444 -1.392 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993602049 1074640703 /nfs/dbraw/zinc/64/07/03/1074640703.db2.gz RBVFSQQSUATZDB-LGSVPQMISA-N 1 2 379.417 -1.490 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993602107 1074641210 /nfs/dbraw/zinc/64/12/10/1074641210.db2.gz RLAOVJIXOLIMMZ-UMSGYPCISA-N 1 2 390.444 -1.570 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993604815 1074641147 /nfs/dbraw/zinc/64/11/47/1074641147.db2.gz ZFDGQVGBZLSSHQ-XJFOESAGSA-N 1 2 385.428 -1.082 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1c1c[nH+]cn1C ZINC000993605006 1074641254 /nfs/dbraw/zinc/64/12/54/1074641254.db2.gz DLGNNAIZWUEMKB-JXFSHQFZSA-N 1 2 388.432 -1.058 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993605789 1074641221 /nfs/dbraw/zinc/64/12/21/1074641221.db2.gz IQQORYICLQKVGF-WRWGMCAJSA-N 1 2 387.404 -2.361 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C(N)=O)C2)C1 ZINC000993606780 1074641280 /nfs/dbraw/zinc/64/12/80/1074641280.db2.gz GTBRRVUWHXXHCB-DDHJBXDOSA-N 1 2 376.417 -1.769 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000993607370 1074641240 /nfs/dbraw/zinc/64/12/40/1074641240.db2.gz REIPQRIMUYCSRK-ZBYUQBLASA-N 1 2 386.416 -1.446 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993608131 1074641180 /nfs/dbraw/zinc/64/11/80/1074641180.db2.gz UXYGDSWPEQFCRN-YVECIDJPSA-N 1 2 386.416 -1.756 20 0 GAADLO Cn1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC000993608871 1074641203 /nfs/dbraw/zinc/64/12/03/1074641203.db2.gz YXCLSMFTAJREEO-GFQSEFKGSA-N 1 2 385.428 -1.001 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993609585 1074641230 /nfs/dbraw/zinc/64/12/30/1074641230.db2.gz BSRDQJXJZMGQAX-WRWGMCAJSA-N 1 2 390.444 -1.536 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993611740 1074641119 /nfs/dbraw/zinc/64/11/19/1074641119.db2.gz CLKJFQKIEQLUAY-LSCVPOLPSA-N 1 2 386.416 -1.606 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000993613985 1074641185 /nfs/dbraw/zinc/64/11/85/1074641185.db2.gz ALYVSPXAUBMNLC-AEMSQSNESA-N 1 2 386.416 -1.296 20 0 GAADLO Cc1nonc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000993617450 1074641171 /nfs/dbraw/zinc/64/11/71/1074641171.db2.gz FPHSGMJVHFAAQL-WRWGMCAJSA-N 1 2 387.400 -1.043 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1NC(=O)Cn1ncnn1 ZINC000993617933 1074641316 /nfs/dbraw/zinc/64/13/16/1074641316.db2.gz WIAFYMICGICLIE-ZBYUQBLASA-N 1 2 386.416 -1.446 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1NC(=O)Cn1cnnn1 ZINC000993618048 1074641191 /nfs/dbraw/zinc/64/11/91/1074641191.db2.gz XYYHZFDDQWOPRM-ZBYUQBLASA-N 1 2 386.416 -1.446 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993619472 1074641262 /nfs/dbraw/zinc/64/12/62/1074641262.db2.gz HJIHZWXNOPSYRD-LMLFDSFASA-N 1 2 387.404 -2.211 20 0 GAADLO Cn1cncc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000993620077 1074641269 /nfs/dbraw/zinc/64/12/69/1074641269.db2.gz QHFASIZNYICMJK-YVECIDJPSA-N 1 2 385.428 -1.001 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NC(=O)C(N)=O ZINC000993621212 1074641196 /nfs/dbraw/zinc/64/11/96/1074641196.db2.gz HYPZQLHRRIVBRQ-RLPMIEJPSA-N 1 2 391.428 -1.633 20 0 GAADLO Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993621422 1074641303 /nfs/dbraw/zinc/64/13/03/1074641303.db2.gz VDYMKNLHBHBXRN-XJFOESAGSA-N 1 2 385.428 -1.151 20 0 GAADLO Cc1n[nH]nc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000993622594 1074640646 /nfs/dbraw/zinc/64/06/46/1074640646.db2.gz DCDSJQBQGSVMJP-WRWGMCAJSA-N 1 2 386.416 -1.308 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1NC(=O)C(N)=O ZINC000993622864 1074642377 /nfs/dbraw/zinc/64/23/77/1074642377.db2.gz ALOGNIOUSYVDNR-FDYHWXHSSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC000993623215 1074642359 /nfs/dbraw/zinc/64/23/59/1074642359.db2.gz XXLKTPSODQDRSF-AEMSQSNESA-N 1 2 386.416 -1.296 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC000993624420 1074642493 /nfs/dbraw/zinc/64/24/93/1074642493.db2.gz BJLZXZDEYRSCAT-FDYHWXHSSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000993626467 1074642316 /nfs/dbraw/zinc/64/23/16/1074642316.db2.gz OFZAEMGDUJBBEM-RLPMIEJPSA-N 1 2 391.428 -1.633 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993626962 1074642210 /nfs/dbraw/zinc/64/22/10/1074642210.db2.gz RSQIPSSIFHBMTL-YVECIDJPSA-N 1 2 385.428 -1.082 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993627167 1074642293 /nfs/dbraw/zinc/64/22/93/1074642293.db2.gz QMVMEIGWPSEKCF-DDHJBXDOSA-N 1 2 376.417 -1.769 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993628078 1074642410 /nfs/dbraw/zinc/64/24/10/1074642410.db2.gz SZLKVFQLGWUQNC-WRWGMCAJSA-N 1 2 388.428 -1.782 20 0 GAADLO Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000993629599 1074642431 /nfs/dbraw/zinc/64/24/31/1074642431.db2.gz CKWSXQZWIYFEMI-FDYHWXHSSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993629692 1074642220 /nfs/dbraw/zinc/64/22/20/1074642220.db2.gz GUHXPCMTWXQFIZ-RQIPRSKVSA-N 1 2 387.440 -1.156 20 0 GAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2c2c[nH+]cn2C)cn1 ZINC000993630133 1074642342 /nfs/dbraw/zinc/64/23/42/1074642342.db2.gz GMVPZINRHUODAA-REWJHTLYSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000993630820 1074642481 /nfs/dbraw/zinc/64/24/81/1074642481.db2.gz IVWRTLNSLSNPTJ-WRWGMCAJSA-N 1 2 376.417 -1.782 20 0 GAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C(N)=O)C2)cn1 ZINC000993630919 1074642395 /nfs/dbraw/zinc/64/23/95/1074642395.db2.gz OGICGVKEGQUSHA-REWJHTLYSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)c1cnn(C)n1 ZINC000993631903 1074642465 /nfs/dbraw/zinc/64/24/65/1074642465.db2.gz AJSLRHXJFBLZCA-LSCVPOLPSA-N 1 2 386.416 -1.606 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)C1=COCCO1 ZINC000993631938 1074642972 /nfs/dbraw/zinc/64/29/72/1074642972.db2.gz AQADWHGUODOLKI-YVECIDJPSA-N 1 2 389.412 -1.160 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC000993631995 1074642917 /nfs/dbraw/zinc/64/29/17/1074642917.db2.gz BFPIXTDNFMYTMH-JXFSHQFZSA-N 1 2 388.432 -1.058 20 0 GAADLO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2c[nH+]cn2C)c1 ZINC000993632086 1074643120 /nfs/dbraw/zinc/64/31/20/1074643120.db2.gz BWDLSLASAQFIFB-YVECIDJPSA-N 1 2 385.428 -1.001 20 0 GAADLO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1NC(=O)C(N)=O ZINC000993632112 1074643025 /nfs/dbraw/zinc/64/30/25/1074643025.db2.gz CGXRZYRMSSNVRU-FDYHWXHSSA-N 1 2 385.428 -1.147 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cn1nccn1 ZINC000993632154 1074642902 /nfs/dbraw/zinc/64/29/02/1074642902.db2.gz CYGFAZHYCUONJU-YVECIDJPSA-N 1 2 386.416 -1.756 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cn1cccn1 ZINC000993632178 1074642995 /nfs/dbraw/zinc/64/29/95/1074642995.db2.gz DQWTWNIRBQHICJ-XJFOESAGSA-N 1 2 385.428 -1.151 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2c[nH+]cn2C)cn1 ZINC000993632201 1074643105 /nfs/dbraw/zinc/64/31/05/1074643105.db2.gz FCAVLEPNVVDXDT-XJFOESAGSA-N 1 2 385.428 -1.001 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(N)=O)C1 ZINC000993633068 1074643145 /nfs/dbraw/zinc/64/31/45/1074643145.db2.gz FSRLFDIYQXVANG-WRWGMCAJSA-N 1 2 376.417 -1.960 20 0 GAADLO Cn1cncc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993633204 1074642930 /nfs/dbraw/zinc/64/29/30/1074642930.db2.gz HSITYDOHKSVCFD-YVECIDJPSA-N 1 2 385.428 -1.001 20 0 GAADLO Cc1nn[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993633246 1074643014 /nfs/dbraw/zinc/64/30/14/1074643014.db2.gz JERJDSTVUTWXKS-WRWGMCAJSA-N 1 2 386.416 -1.308 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000993633254 1074643074 /nfs/dbraw/zinc/64/30/74/1074643074.db2.gz UFYRLLDPZIBDKZ-PKZYVASSSA-N 1 2 378.389 -2.651 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cn1cncn1 ZINC000993633771 1074642947 /nfs/dbraw/zinc/64/29/47/1074642947.db2.gz KZXIPMUTNYPFDX-YVECIDJPSA-N 1 2 386.416 -1.756 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000993633782 1074642958 /nfs/dbraw/zinc/64/29/58/1074642958.db2.gz LAZUOJFWTJYQJX-RQIPRSKVSA-N 1 2 387.440 -1.156 20 0 GAADLO Cn1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993633886 1074643133 /nfs/dbraw/zinc/64/31/33/1074643133.db2.gz MNPHBOMQQCUYGO-GFQSEFKGSA-N 1 2 385.428 -1.001 20 0 GAADLO Cc1nonc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993633896 1074643085 /nfs/dbraw/zinc/64/30/85/1074643085.db2.gz MQTHDYWOWHBKNT-WRWGMCAJSA-N 1 2 387.400 -1.043 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)c1ccnn1C ZINC000993633899 1074643007 /nfs/dbraw/zinc/64/30/07/1074643007.db2.gz MQVXBYYQUMLKEJ-YVECIDJPSA-N 1 2 385.428 -1.001 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cc1cc[nH]n1 ZINC000993633908 1074643170 /nfs/dbraw/zinc/64/31/70/1074643170.db2.gz MSWXFNXLTHMJST-XJFOESAGSA-N 1 2 385.428 -1.082 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1c[nH+]cn1C ZINC000993634579 1074641847 /nfs/dbraw/zinc/64/18/47/1074641847.db2.gz YZWUGSWNIGWYOC-IRCOFANPSA-N 1 2 376.417 -1.960 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)c1nnn(C)n1 ZINC000993634582 1074641752 /nfs/dbraw/zinc/64/17/52/1074641752.db2.gz PSMSIYYHWSPBBJ-LMLFDSFASA-N 1 2 387.404 -2.211 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000993634599 1074641744 /nfs/dbraw/zinc/64/17/44/1074641744.db2.gz PZNXAUAOZQXOPB-YVECIDJPSA-N 1 2 385.428 -1.082 20 0 GAADLO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000993634636 1074641837 /nfs/dbraw/zinc/64/18/37/1074641837.db2.gz QORPZDHWMUHLPA-XJFOESAGSA-N 1 2 385.428 -1.151 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC000993634666 1074641733 /nfs/dbraw/zinc/64/17/33/1074641733.db2.gz QYBOFUWMQQGUCH-WRWGMCAJSA-N 1 2 386.416 -1.687 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)c1cnnn1C ZINC000993634703 1074641861 /nfs/dbraw/zinc/64/18/61/1074641861.db2.gz RNRQHCRLNQNBAX-WRWGMCAJSA-N 1 2 386.416 -1.606 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993634816 1074641793 /nfs/dbraw/zinc/64/17/93/1074641793.db2.gz JRJYACVUOAZHNN-YVECIDJPSA-N 1 2 386.416 -1.756 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NC(=O)C(N)=O ZINC000993635222 1074641935 /nfs/dbraw/zinc/64/19/35/1074641935.db2.gz VWZPPDCVIRCHPT-WRWGMCAJSA-N 1 2 376.417 -1.782 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cn1ncnn1 ZINC000993635244 1074641897 /nfs/dbraw/zinc/64/18/97/1074641897.db2.gz XESNCCCLRYREPO-WRWGMCAJSA-N 1 2 387.404 -2.361 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NC(=O)Cn1cnnn1 ZINC000993635248 1074641784 /nfs/dbraw/zinc/64/17/84/1074641784.db2.gz XHBISNYKXHEHAM-WRWGMCAJSA-N 1 2 387.404 -2.361 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2c[nH+]cn2C)nn1 ZINC000993635263 1074641775 /nfs/dbraw/zinc/64/17/75/1074641775.db2.gz XPWJJLKPCKTSOE-WRWGMCAJSA-N 1 2 386.416 -1.606 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC000993635268 1074641872 /nfs/dbraw/zinc/64/18/72/1074641872.db2.gz XUUAAQIJBDVOCP-JXFSHQFZSA-N 1 2 388.432 -1.058 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NC(=O)C(N)=O ZINC000993635298 1074641722 /nfs/dbraw/zinc/64/17/22/1074641722.db2.gz YBRANXWYOQHVFS-PKZYVASSSA-N 1 2 378.389 -2.651 20 0 GAADLO Cn1cnc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2c[nH+]cn2C)n1 ZINC000993635651 1074641950 /nfs/dbraw/zinc/64/19/50/1074641950.db2.gz ZXIUNNWNXVGQLK-WRWGMCAJSA-N 1 2 386.416 -1.606 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000993636446 1074642448 /nfs/dbraw/zinc/64/24/48/1074642448.db2.gz XQDQRIZLOHXHIV-WRWGMCAJSA-N 1 2 386.416 -1.687 20 0 GAADLO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000994432216 1074649215 /nfs/dbraw/zinc/64/92/15/1074649215.db2.gz CVNXFZCGZKFNAZ-TUVASFSCSA-N 1 2 382.461 -1.438 20 0 GAADLO COCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995424000 1074717185 /nfs/dbraw/zinc/71/71/85/1074717185.db2.gz MBLVALWDYQGZBN-OXHZDVMGSA-N 1 2 382.442 -1.004 20 0 GAADLO COCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995424000 1074717173 /nfs/dbraw/zinc/71/71/73/1074717173.db2.gz MBLVALWDYQGZBN-OXHZDVMGSA-N 1 2 382.442 -1.004 20 0 GAADLO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995448811 1074719219 /nfs/dbraw/zinc/71/92/19/1074719219.db2.gz SESFIYSKKJCKMK-PKZYVASSSA-N 1 2 381.414 -2.165 20 0 GAADLO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995448811 1074719210 /nfs/dbraw/zinc/71/92/10/1074719210.db2.gz SESFIYSKKJCKMK-PKZYVASSSA-N 1 2 381.414 -2.165 20 0 GAADLO COCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995451005 1074720180 /nfs/dbraw/zinc/72/01/80/1074720180.db2.gz MBLVALWDYQGZBN-MHDGFBEUSA-N 1 2 382.442 -1.004 20 0 GAADLO COCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995451005 1074720172 /nfs/dbraw/zinc/72/01/72/1074720172.db2.gz MBLVALWDYQGZBN-MHDGFBEUSA-N 1 2 382.442 -1.004 20 0 GAADLO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995452427 1074719752 /nfs/dbraw/zinc/71/97/52/1074719752.db2.gz SESFIYSKKJCKMK-IQIPOGNMSA-N 1 2 381.414 -2.165 20 0 GAADLO NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995452427 1074719747 /nfs/dbraw/zinc/71/97/47/1074719747.db2.gz SESFIYSKKJCKMK-IQIPOGNMSA-N 1 2 381.414 -2.165 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC000996320864 1074740401 /nfs/dbraw/zinc/74/04/01/1074740401.db2.gz RGMGTTXPYCMTPC-RFGFWPKPSA-N 1 2 378.429 -1.286 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC000996320864 1074740394 /nfs/dbraw/zinc/74/03/94/1074740394.db2.gz RGMGTTXPYCMTPC-RFGFWPKPSA-N 1 2 378.429 -1.286 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC000996320865 1074740476 /nfs/dbraw/zinc/74/04/76/1074740476.db2.gz RGMGTTXPYCMTPC-ZOBORPQBSA-N 1 2 378.429 -1.286 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC000996320865 1074740468 /nfs/dbraw/zinc/74/04/68/1074740468.db2.gz RGMGTTXPYCMTPC-ZOBORPQBSA-N 1 2 378.429 -1.286 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC000996624321 1074742716 /nfs/dbraw/zinc/74/27/16/1074742716.db2.gz HAWWDIQZWFIBNK-SAXRGWBVSA-N 1 2 381.458 -1.098 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC000996624326 1074742730 /nfs/dbraw/zinc/74/27/30/1074742730.db2.gz HAWWDIQZWFIBNK-ZZVYKPCYSA-N 1 2 381.458 -1.098 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC000997556152 1074760264 /nfs/dbraw/zinc/76/02/64/1074760264.db2.gz FDQFBNATAIZMNQ-CBBWQLFWSA-N 1 2 380.445 -1.576 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC000997556152 1074760258 /nfs/dbraw/zinc/76/02/58/1074760258.db2.gz FDQFBNATAIZMNQ-CBBWQLFWSA-N 1 2 380.445 -1.576 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC000997556154 1074760286 /nfs/dbraw/zinc/76/02/86/1074760286.db2.gz FDQFBNATAIZMNQ-QPSCCSFWSA-N 1 2 380.445 -1.576 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC000997556154 1074760284 /nfs/dbraw/zinc/76/02/84/1074760284.db2.gz FDQFBNATAIZMNQ-QPSCCSFWSA-N 1 2 380.445 -1.576 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)n(C)c1=O ZINC000997598741 1074762587 /nfs/dbraw/zinc/76/25/87/1074762587.db2.gz OGMHOSLYGBDXAK-OSFYFWSMSA-N 1 2 377.445 -1.084 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)n(C)c1=O ZINC000997598741 1074762579 /nfs/dbraw/zinc/76/25/79/1074762579.db2.gz OGMHOSLYGBDXAK-OSFYFWSMSA-N 1 2 377.445 -1.084 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)n(C)c1=O ZINC000997598744 1074762534 /nfs/dbraw/zinc/76/25/34/1074762534.db2.gz OGMHOSLYGBDXAK-UKTARXLSSA-N 1 2 377.445 -1.084 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)n(C)c1=O ZINC000997598744 1074762526 /nfs/dbraw/zinc/76/25/26/1074762526.db2.gz OGMHOSLYGBDXAK-UKTARXLSSA-N 1 2 377.445 -1.084 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000997619350 1074762777 /nfs/dbraw/zinc/76/27/77/1074762777.db2.gz MYIHMBTXXYMBCS-KBXIAJHMSA-N 1 2 380.445 -1.685 20 0 GAADLO Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1=O ZINC000997779279 1074765819 /nfs/dbraw/zinc/76/58/19/1074765819.db2.gz NOJZZYVHWGUZAX-DHMWGJHJSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)cc1=O ZINC000997779279 1074765813 /nfs/dbraw/zinc/76/58/13/1074765813.db2.gz NOJZZYVHWGUZAX-DHMWGJHJSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)cc1=O ZINC000997779281 1074765745 /nfs/dbraw/zinc/76/57/45/1074765745.db2.gz NOJZZYVHWGUZAX-PAPYEOQZSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)cc1=O ZINC000997779281 1074765735 /nfs/dbraw/zinc/76/57/35/1074765735.db2.gz NOJZZYVHWGUZAX-PAPYEOQZSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)c1=O ZINC000997938957 1074768573 /nfs/dbraw/zinc/76/85/73/1074768573.db2.gz ZUELCHBKXHZERK-RFGFWPKPSA-N 1 2 378.433 -1.840 20 0 GAADLO Cn1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)c1=O ZINC000997938957 1074768564 /nfs/dbraw/zinc/76/85/64/1074768564.db2.gz ZUELCHBKXHZERK-RFGFWPKPSA-N 1 2 378.433 -1.840 20 0 GAADLO Cn1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)c1=O ZINC000997938962 1074768453 /nfs/dbraw/zinc/76/84/53/1074768453.db2.gz ZUELCHBKXHZERK-ZOBORPQBSA-N 1 2 378.433 -1.840 20 0 GAADLO Cn1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)c1=O ZINC000997938962 1074768443 /nfs/dbraw/zinc/76/84/43/1074768443.db2.gz ZUELCHBKXHZERK-ZOBORPQBSA-N 1 2 378.433 -1.840 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC000998186746 1074770686 /nfs/dbraw/zinc/77/06/86/1074770686.db2.gz RZPJTKVEZYFVNV-CBBWQLFWSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC000998186746 1074770684 /nfs/dbraw/zinc/77/06/84/1074770684.db2.gz RZPJTKVEZYFVNV-CBBWQLFWSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC000998186748 1074771156 /nfs/dbraw/zinc/77/11/56/1074771156.db2.gz RZPJTKVEZYFVNV-QPSCCSFWSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC000998186748 1074771152 /nfs/dbraw/zinc/77/11/52/1074771152.db2.gz RZPJTKVEZYFVNV-QPSCCSFWSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC000998367167 1074772686 /nfs/dbraw/zinc/77/26/86/1074772686.db2.gz MPYANDNFCYMPKS-RFGFWPKPSA-N 1 2 378.429 -1.382 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC000998367167 1074772679 /nfs/dbraw/zinc/77/26/79/1074772679.db2.gz MPYANDNFCYMPKS-RFGFWPKPSA-N 1 2 378.429 -1.382 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC000998367169 1074772590 /nfs/dbraw/zinc/77/25/90/1074772590.db2.gz MPYANDNFCYMPKS-ZOBORPQBSA-N 1 2 378.429 -1.382 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC000998367169 1074772578 /nfs/dbraw/zinc/77/25/78/1074772578.db2.gz MPYANDNFCYMPKS-ZOBORPQBSA-N 1 2 378.429 -1.382 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000998636767 1074774788 /nfs/dbraw/zinc/77/47/88/1074774788.db2.gz KUGZDEVTJCFGLI-SAXRGWBVSA-N 1 2 381.458 -1.098 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000998636774 1074774715 /nfs/dbraw/zinc/77/47/15/1074774715.db2.gz KUGZDEVTJCFGLI-ZZVYKPCYSA-N 1 2 381.458 -1.098 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC000999120377 1074777390 /nfs/dbraw/zinc/77/73/90/1074777390.db2.gz LLJKIHSKRSHPJP-CBBWQLFWSA-N 1 2 379.461 -2.003 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC000999120377 1074777384 /nfs/dbraw/zinc/77/73/84/1074777384.db2.gz LLJKIHSKRSHPJP-CBBWQLFWSA-N 1 2 379.461 -2.003 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC000999120379 1074777427 /nfs/dbraw/zinc/77/74/27/1074777427.db2.gz LLJKIHSKRSHPJP-QPSCCSFWSA-N 1 2 379.461 -2.003 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC000999120379 1074777422 /nfs/dbraw/zinc/77/74/22/1074777422.db2.gz LLJKIHSKRSHPJP-QPSCCSFWSA-N 1 2 379.461 -2.003 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)ncc1=O ZINC000999183544 1074779348 /nfs/dbraw/zinc/77/93/48/1074779348.db2.gz GLLPXGVGGTWAIG-DHMWGJHJSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)ncc1=O ZINC000999183544 1074779340 /nfs/dbraw/zinc/77/93/40/1074779340.db2.gz GLLPXGVGGTWAIG-DHMWGJHJSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)ncc1=O ZINC000999183547 1074779148 /nfs/dbraw/zinc/77/91/48/1074779148.db2.gz GLLPXGVGGTWAIG-PAPYEOQZSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)ncc1=O ZINC000999183547 1074779138 /nfs/dbraw/zinc/77/91/38/1074779138.db2.gz GLLPXGVGGTWAIG-PAPYEOQZSA-N 1 2 375.429 -1.027 20 0 GAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC000999235934 1074779196 /nfs/dbraw/zinc/77/91/96/1074779196.db2.gz IYRBJHCQCXOSDS-MRLBHPIUSA-N 1 2 380.445 -1.400 20 0 GAADLO NC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC000999238472 1074779217 /nfs/dbraw/zinc/77/92/17/1074779217.db2.gz UWYWKRUGVZEZLT-OWYFMNJBSA-N 1 2 394.472 -1.010 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC000999325326 1074781722 /nfs/dbraw/zinc/78/17/22/1074781722.db2.gz FSASNNJONUKCLW-MROQNXINSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC000999325326 1074781715 /nfs/dbraw/zinc/78/17/15/1074781715.db2.gz FSASNNJONUKCLW-MROQNXINSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC000999325327 1074781978 /nfs/dbraw/zinc/78/19/78/1074781978.db2.gz FSASNNJONUKCLW-VOAKCMCISA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC000999325327 1074781969 /nfs/dbraw/zinc/78/19/69/1074781969.db2.gz FSASNNJONUKCLW-VOAKCMCISA-N 1 2 379.417 -1.883 20 0 GAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000999880509 1074785445 /nfs/dbraw/zinc/78/54/45/1074785445.db2.gz YIZTXLKFIMRQGM-MRLBHPIUSA-N 1 2 380.445 -1.400 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999918567 1074785411 /nfs/dbraw/zinc/78/54/11/1074785411.db2.gz RYCPIWYXLHNCDJ-KBXIAJHMSA-N 1 2 380.445 -1.685 20 0 GAADLO Cn1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1=O ZINC001000606388 1073491535 /nfs/dbraw/zinc/49/15/35/1073491535.db2.gz MADWVKRXPYDIRU-UNQGMJICSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)ccc1=O ZINC001000606388 1073491528 /nfs/dbraw/zinc/49/15/28/1073491528.db2.gz MADWVKRXPYDIRU-UNQGMJICSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)ccc1=O ZINC001000606391 1073491661 /nfs/dbraw/zinc/49/16/61/1073491661.db2.gz MADWVKRXPYDIRU-UQOMUDLDSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)ccc1=O ZINC001000606391 1073491655 /nfs/dbraw/zinc/49/16/55/1073491655.db2.gz MADWVKRXPYDIRU-UQOMUDLDSA-N 1 2 375.429 -1.027 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001000632488 1073492775 /nfs/dbraw/zinc/49/27/75/1073492775.db2.gz HSQTYDLQTQZFII-MROQNXINSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001000632488 1073492771 /nfs/dbraw/zinc/49/27/71/1073492771.db2.gz HSQTYDLQTQZFII-MROQNXINSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001000632490 1073492725 /nfs/dbraw/zinc/49/27/25/1073492725.db2.gz HSQTYDLQTQZFII-VOAKCMCISA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001000632490 1073492718 /nfs/dbraw/zinc/49/27/18/1073492718.db2.gz HSQTYDLQTQZFII-VOAKCMCISA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC001002535277 1075235245 /nfs/dbraw/zinc/23/52/45/1075235245.db2.gz RGMGTTXPYCMTPC-MQYQWHSLSA-N 1 2 378.429 -1.286 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC001002535277 1075235243 /nfs/dbraw/zinc/23/52/43/1075235243.db2.gz RGMGTTXPYCMTPC-MQYQWHSLSA-N 1 2 378.429 -1.286 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC001002535280 1075235198 /nfs/dbraw/zinc/23/51/98/1075235198.db2.gz RGMGTTXPYCMTPC-YIYPIFLZSA-N 1 2 378.429 -1.286 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CCC2=O)C3)C1 ZINC001002535280 1075235197 /nfs/dbraw/zinc/23/51/97/1075235197.db2.gz RGMGTTXPYCMTPC-YIYPIFLZSA-N 1 2 378.429 -1.286 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001002882443 1074800577 /nfs/dbraw/zinc/80/05/77/1074800577.db2.gz HAWWDIQZWFIBNK-CABNGKKXSA-N 1 2 381.458 -1.098 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001002882444 1074800588 /nfs/dbraw/zinc/80/05/88/1074800588.db2.gz HAWWDIQZWFIBNK-ZRJCITRHSA-N 1 2 381.458 -1.098 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC001003510382 1074815496 /nfs/dbraw/zinc/81/54/96/1074815496.db2.gz FDQFBNATAIZMNQ-APIJFGDWSA-N 1 2 380.445 -1.576 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC001003510382 1074815486 /nfs/dbraw/zinc/81/54/86/1074815486.db2.gz FDQFBNATAIZMNQ-APIJFGDWSA-N 1 2 380.445 -1.576 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC001003510383 1074815332 /nfs/dbraw/zinc/81/53/32/1074815332.db2.gz FDQFBNATAIZMNQ-KBXIAJHMSA-N 1 2 380.445 -1.576 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCOCC2=O)C3)C1 ZINC001003510383 1074815324 /nfs/dbraw/zinc/81/53/24/1074815324.db2.gz FDQFBNATAIZMNQ-KBXIAJHMSA-N 1 2 380.445 -1.576 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)n(C)c1=O ZINC001003537382 1074816290 /nfs/dbraw/zinc/81/62/90/1074816290.db2.gz OGMHOSLYGBDXAK-CXTNEJHOSA-N 1 2 377.445 -1.084 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)n(C)c1=O ZINC001003537382 1074816283 /nfs/dbraw/zinc/81/62/83/1074816283.db2.gz OGMHOSLYGBDXAK-CXTNEJHOSA-N 1 2 377.445 -1.084 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)n(C)c1=O ZINC001003537386 1074816248 /nfs/dbraw/zinc/81/62/48/1074816248.db2.gz OGMHOSLYGBDXAK-GUIRCDHDSA-N 1 2 377.445 -1.084 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)n(C)c1=O ZINC001003537386 1074816241 /nfs/dbraw/zinc/81/62/41/1074816241.db2.gz OGMHOSLYGBDXAK-GUIRCDHDSA-N 1 2 377.445 -1.084 20 0 GAADLO Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)cc1=O ZINC001003684188 1074819325 /nfs/dbraw/zinc/81/93/25/1074819325.db2.gz NOJZZYVHWGUZAX-RJZRQDKASA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)cc1=O ZINC001003684188 1074819320 /nfs/dbraw/zinc/81/93/20/1074819320.db2.gz NOJZZYVHWGUZAX-RJZRQDKASA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1=O ZINC001003684189 1074819282 /nfs/dbraw/zinc/81/92/82/1074819282.db2.gz NOJZZYVHWGUZAX-UXOAXIEHSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)cc1=O ZINC001003684189 1074819279 /nfs/dbraw/zinc/81/92/79/1074819279.db2.gz NOJZZYVHWGUZAX-UXOAXIEHSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)c1=O ZINC001003783523 1074822528 /nfs/dbraw/zinc/82/25/28/1074822528.db2.gz ZUELCHBKXHZERK-MQYQWHSLSA-N 1 2 378.433 -1.840 20 0 GAADLO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)c1=O ZINC001003783523 1074822522 /nfs/dbraw/zinc/82/25/22/1074822522.db2.gz ZUELCHBKXHZERK-MQYQWHSLSA-N 1 2 378.433 -1.840 20 0 GAADLO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)c1=O ZINC001003783524 1074822486 /nfs/dbraw/zinc/82/24/86/1074822486.db2.gz ZUELCHBKXHZERK-YIYPIFLZSA-N 1 2 378.433 -1.840 20 0 GAADLO Cn1cnn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)c1=O ZINC001003783524 1074822479 /nfs/dbraw/zinc/82/24/79/1074822479.db2.gz ZUELCHBKXHZERK-YIYPIFLZSA-N 1 2 378.433 -1.840 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC001003952012 1074824674 /nfs/dbraw/zinc/82/46/74/1074824674.db2.gz RZPJTKVEZYFVNV-APIJFGDWSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC001003952012 1074824670 /nfs/dbraw/zinc/82/46/70/1074824670.db2.gz RZPJTKVEZYFVNV-APIJFGDWSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC001003952016 1074824719 /nfs/dbraw/zinc/82/47/19/1074824719.db2.gz RZPJTKVEZYFVNV-KBXIAJHMSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCNC2=O)C3)C1 ZINC001003952016 1074824712 /nfs/dbraw/zinc/82/47/12/1074824712.db2.gz RZPJTKVEZYFVNV-KBXIAJHMSA-N 1 2 379.461 -1.020 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC001004123050 1074827567 /nfs/dbraw/zinc/82/75/67/1074827567.db2.gz MPYANDNFCYMPKS-MQYQWHSLSA-N 1 2 378.429 -1.382 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC001004123050 1074827564 /nfs/dbraw/zinc/82/75/64/1074827564.db2.gz MPYANDNFCYMPKS-MQYQWHSLSA-N 1 2 378.429 -1.382 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC001004123051 1074827495 /nfs/dbraw/zinc/82/74/95/1074827495.db2.gz MPYANDNFCYMPKS-YIYPIFLZSA-N 1 2 378.429 -1.382 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(=O)NC(=O)C2)C3)C1 ZINC001004123051 1074827493 /nfs/dbraw/zinc/82/74/93/1074827493.db2.gz MPYANDNFCYMPKS-YIYPIFLZSA-N 1 2 378.429 -1.382 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001004370926 1074831136 /nfs/dbraw/zinc/83/11/36/1074831136.db2.gz KUGZDEVTJCFGLI-CABNGKKXSA-N 1 2 381.458 -1.098 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001004370931 1074831101 /nfs/dbraw/zinc/83/11/01/1074831101.db2.gz KUGZDEVTJCFGLI-ZRJCITRHSA-N 1 2 381.458 -1.098 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC001004919889 1074843726 /nfs/dbraw/zinc/84/37/26/1074843726.db2.gz LLJKIHSKRSHPJP-APIJFGDWSA-N 1 2 379.461 -2.003 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC001004919889 1074843724 /nfs/dbraw/zinc/84/37/24/1074843724.db2.gz LLJKIHSKRSHPJP-APIJFGDWSA-N 1 2 379.461 -2.003 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC001004919891 1074843712 /nfs/dbraw/zinc/84/37/12/1074843712.db2.gz LLJKIHSKRSHPJP-KBXIAJHMSA-N 1 2 379.461 -2.003 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCNC(=O)C2)C3)C1 ZINC001004919891 1074843709 /nfs/dbraw/zinc/84/37/09/1074843709.db2.gz LLJKIHSKRSHPJP-KBXIAJHMSA-N 1 2 379.461 -2.003 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)ncc1=O ZINC001004985974 1074847595 /nfs/dbraw/zinc/84/75/95/1074847595.db2.gz GLLPXGVGGTWAIG-RJZRQDKASA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)ncc1=O ZINC001004985974 1074847591 /nfs/dbraw/zinc/84/75/91/1074847591.db2.gz GLLPXGVGGTWAIG-RJZRQDKASA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)ncc1=O ZINC001004985977 1074847504 /nfs/dbraw/zinc/84/75/04/1074847504.db2.gz GLLPXGVGGTWAIG-UXOAXIEHSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)ncc1=O ZINC001004985977 1074847503 /nfs/dbraw/zinc/84/75/03/1074847503.db2.gz GLLPXGVGGTWAIG-UXOAXIEHSA-N 1 2 375.429 -1.027 20 0 GAADLO NC(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001005039087 1074848259 /nfs/dbraw/zinc/84/82/59/1074848259.db2.gz IYRBJHCQCXOSDS-ZSAUSMIDSA-N 1 2 380.445 -1.400 20 0 GAADLO NC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001005041750 1074848270 /nfs/dbraw/zinc/84/82/70/1074848270.db2.gz UWYWKRUGVZEZLT-SUJAAXHWSA-N 1 2 394.472 -1.010 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC001005103715 1074857002 /nfs/dbraw/zinc/85/70/02/1074857002.db2.gz FSASNNJONUKCLW-FVCCEPFGSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC001005103715 1074856997 /nfs/dbraw/zinc/85/69/97/1074856997.db2.gz FSASNNJONUKCLW-FVCCEPFGSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC001005103716 1074857025 /nfs/dbraw/zinc/85/70/25/1074857025.db2.gz FSASNNJONUKCLW-NDBYEHHHSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CC(=O)NC2=O)C3)C1 ZINC001005103716 1074857019 /nfs/dbraw/zinc/85/70/19/1074857019.db2.gz FSASNNJONUKCLW-NDBYEHHHSA-N 1 2 379.417 -1.883 20 0 GAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001005660158 1074865059 /nfs/dbraw/zinc/86/50/59/1074865059.db2.gz YIZTXLKFIMRQGM-ZSAUSMIDSA-N 1 2 380.445 -1.400 20 0 GAADLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)ccc1=O ZINC001006430895 1075770098 /nfs/dbraw/zinc/77/00/98/1075770098.db2.gz MADWVKRXPYDIRU-REBRKWNGSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)ccc1=O ZINC001006430895 1075770096 /nfs/dbraw/zinc/77/00/96/1075770096.db2.gz MADWVKRXPYDIRU-REBRKWNGSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1=O ZINC001006430899 1075770110 /nfs/dbraw/zinc/77/01/10/1075770110.db2.gz MADWVKRXPYDIRU-RZFFKMDDSA-N 1 2 375.429 -1.027 20 0 GAADLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)ccc1=O ZINC001006430899 1075770106 /nfs/dbraw/zinc/77/01/06/1075770106.db2.gz MADWVKRXPYDIRU-RZFFKMDDSA-N 1 2 375.429 -1.027 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001006464476 1075796482 /nfs/dbraw/zinc/79/64/82/1075796482.db2.gz HSQTYDLQTQZFII-FVCCEPFGSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001006464476 1075796477 /nfs/dbraw/zinc/79/64/77/1075796477.db2.gz HSQTYDLQTQZFII-FVCCEPFGSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001006464499 1075796550 /nfs/dbraw/zinc/79/65/50/1075796550.db2.gz HSQTYDLQTQZFII-NDBYEHHHSA-N 1 2 379.417 -1.883 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2C(=O)CNC2=O)C3)C1 ZINC001006464499 1075796547 /nfs/dbraw/zinc/79/65/47/1075796547.db2.gz HSQTYDLQTQZFII-NDBYEHHHSA-N 1 2 379.417 -1.883 20 0 GAADLO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001008002577 1075888953 /nfs/dbraw/zinc/88/89/53/1075888953.db2.gz JKQJOPTUJZBVLL-LNORHHCFSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001008002577 1075888950 /nfs/dbraw/zinc/88/89/50/1075888950.db2.gz JKQJOPTUJZBVLL-LNORHHCFSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001008002581 1075889008 /nfs/dbraw/zinc/88/90/08/1075889008.db2.gz JKQJOPTUJZBVLL-YQBONMRBSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCNC(=O)C1 ZINC001008002581 1075889004 /nfs/dbraw/zinc/88/90/04/1075889004.db2.gz JKQJOPTUJZBVLL-YQBONMRBSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001015370727 1075891019 /nfs/dbraw/zinc/89/10/19/1075891019.db2.gz KLZZXNBSKMCONK-AYMQEEERSA-N 1 2 380.445 -1.813 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001015370727 1075891015 /nfs/dbraw/zinc/89/10/15/1075891015.db2.gz KLZZXNBSKMCONK-AYMQEEERSA-N 1 2 380.445 -1.813 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001015370728 1075890988 /nfs/dbraw/zinc/89/09/88/1075890988.db2.gz KLZZXNBSKMCONK-QDEZUTFSSA-N 1 2 380.445 -1.813 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001015370728 1075890982 /nfs/dbraw/zinc/89/09/82/1075890982.db2.gz KLZZXNBSKMCONK-QDEZUTFSSA-N 1 2 380.445 -1.813 20 0 GAADLO NC(=O)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001022374315 1073575416 /nfs/dbraw/zinc/57/54/16/1073575416.db2.gz XRTHGXBJOBFFEY-YJNKXOJESA-N 1 2 380.445 -1.589 20 0 GAADLO NC(=O)C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]21 ZINC001022551631 1073582810 /nfs/dbraw/zinc/58/28/10/1073582810.db2.gz CCNLMNAGLYUUNE-YJNKXOJESA-N 1 2 380.445 -1.589 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)C(F)F ZINC001022858655 1073603224 /nfs/dbraw/zinc/60/32/24/1073603224.db2.gz HNSGIZFRWHEZGD-LPWJVIDDSA-N 1 2 377.388 -1.181 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001023019639 1073615506 /nfs/dbraw/zinc/61/55/06/1073615506.db2.gz PYUINDYDPRMEQO-RGCMKSIDSA-N 1 2 375.429 -1.166 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)c1ccn[nH]1 ZINC001023094859 1073618403 /nfs/dbraw/zinc/61/84/03/1073618403.db2.gz BCZDKZLOHJWVIA-MIGQKNRLSA-N 1 2 393.444 -1.409 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)c1cn[nH]c1 ZINC001023109534 1073619416 /nfs/dbraw/zinc/61/94/16/1073619416.db2.gz PAXXDVSRBRDOGZ-FPCVCCKLSA-N 1 2 393.444 -1.409 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001023455331 1073634330 /nfs/dbraw/zinc/63/43/30/1073634330.db2.gz UEZLWYQWKTUJKD-IXYNUQLISA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001023471802 1073634901 /nfs/dbraw/zinc/63/49/01/1073634901.db2.gz PUPZQLHQJALEFG-PRULPYPASA-N 1 2 375.389 -1.791 20 0 GAADLO CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)C1 ZINC001023528283 1073636304 /nfs/dbraw/zinc/63/63/04/1073636304.db2.gz JDEJFZXCSFAPOB-IXYNUQLISA-N 1 2 375.429 -1.310 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001023531051 1073637117 /nfs/dbraw/zinc/63/71/17/1073637117.db2.gz DBXBIUHGEKTWOZ-PRULPYPASA-N 1 2 375.385 -1.183 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1O)c1ncc[nH]1 ZINC001023620381 1073641226 /nfs/dbraw/zinc/64/12/26/1073641226.db2.gz NQCBIAOHGAZULR-TUVASFSCSA-N 1 2 393.444 -1.409 20 0 GAADLO NC(=O)c1nccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001023655270 1073643143 /nfs/dbraw/zinc/64/31/43/1073643143.db2.gz GGSBGNLKBZHWMW-CNVPUSNMSA-N 1 2 385.384 -1.596 20 0 GAADLO NC(=O)c1nccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001023655270 1073643139 /nfs/dbraw/zinc/64/31/39/1073643139.db2.gz GGSBGNLKBZHWMW-CNVPUSNMSA-N 1 2 385.384 -1.596 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001023658584 1073643755 /nfs/dbraw/zinc/64/37/55/1073643755.db2.gz APDSBNDMXNMXJM-HKUMRIAESA-N 1 2 389.412 -1.640 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001023658726 1073643732 /nfs/dbraw/zinc/64/37/32/1073643732.db2.gz CZEZOBULBXYDJE-FPQZTECRSA-N 1 2 375.385 -1.650 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001023658726 1073643726 /nfs/dbraw/zinc/64/37/26/1073643726.db2.gz CZEZOBULBXYDJE-FPQZTECRSA-N 1 2 375.385 -1.650 20 0 GAADLO NC(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001023661706 1073643949 /nfs/dbraw/zinc/64/39/49/1073643949.db2.gz BYOPYPKIVIOXPQ-QHSBEEBCSA-N 1 2 390.444 -1.008 20 0 GAADLO NC(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)CC1 ZINC001023661706 1073643942 /nfs/dbraw/zinc/64/39/42/1073643942.db2.gz BYOPYPKIVIOXPQ-QHSBEEBCSA-N 1 2 390.444 -1.008 20 0 GAADLO COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nn1 ZINC001023704759 1073647018 /nfs/dbraw/zinc/64/70/18/1073647018.db2.gz SUWSWHZQZKKBOR-NLRBGTRBSA-N 1 2 389.416 -1.247 20 0 GAADLO COCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nn1 ZINC001023704759 1073647013 /nfs/dbraw/zinc/64/70/13/1073647013.db2.gz SUWSWHZQZKKBOR-NLRBGTRBSA-N 1 2 389.416 -1.247 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c(=O)[nH]c1=O ZINC001023773513 1073656270 /nfs/dbraw/zinc/65/62/70/1073656270.db2.gz HRMWPSHEBCZAFT-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c(=O)[nH]c1=O ZINC001023773513 1073656266 /nfs/dbraw/zinc/65/62/66/1073656266.db2.gz HRMWPSHEBCZAFT-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001023806791 1073657736 /nfs/dbraw/zinc/65/77/36/1073657736.db2.gz NRNJVLPFANKDMQ-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001023877324 1073660327 /nfs/dbraw/zinc/66/03/27/1073660327.db2.gz JYWHFXPKRZRHGN-HKUMRIAESA-N 1 2 382.442 -1.744 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1cccn2nnnc12 ZINC001023881835 1073660313 /nfs/dbraw/zinc/66/03/13/1073660313.db2.gz HGSBYPFQILQXQP-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1cccn2nnnc12 ZINC001023881835 1073660308 /nfs/dbraw/zinc/66/03/08/1073660308.db2.gz HGSBYPFQILQXQP-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001023939910 1073662623 /nfs/dbraw/zinc/66/26/23/1073662623.db2.gz SHJTZCZTWJODEZ-KCYZZUKISA-N 1 2 388.428 -1.127 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001023941937 1073663271 /nfs/dbraw/zinc/66/32/71/1073663271.db2.gz IKZPXTFDMXUFAM-VMUDFCTBSA-N 1 2 388.428 -1.058 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001023942494 1073663332 /nfs/dbraw/zinc/66/33/32/1073663332.db2.gz ZHUHUFDLICSOSH-DNNBLBMLSA-N 1 2 388.428 -1.058 20 0 GAADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001023951024 1073664586 /nfs/dbraw/zinc/66/45/86/1073664586.db2.gz FUEGKFJDHFFAMC-AAVRWANBSA-N 1 2 375.429 -1.283 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2O)C1 ZINC001023951697 1073665969 /nfs/dbraw/zinc/66/59/69/1073665969.db2.gz CXUVVFGKYUCWQV-AAVRWANBSA-N 1 2 377.445 -1.045 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2O)C1 ZINC001023952619 1073665364 /nfs/dbraw/zinc/66/53/64/1073665364.db2.gz VUIGVDKXLBJVKK-NMFUWQPSSA-N 1 2 377.445 -1.045 20 0 GAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n1 ZINC001023977888 1073671619 /nfs/dbraw/zinc/67/16/19/1073671619.db2.gz OEODLGCWUGOPFC-CNVPUSNMSA-N 1 2 388.388 -2.408 20 0 GAADLO NC(=O)c1ncn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n1 ZINC001023977888 1073671614 /nfs/dbraw/zinc/67/16/14/1073671614.db2.gz OEODLGCWUGOPFC-CNVPUSNMSA-N 1 2 388.388 -2.408 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001024084058 1073678102 /nfs/dbraw/zinc/67/81/02/1073678102.db2.gz URXUAZREIMSSBK-XJFOESAGSA-N 1 2 375.429 -1.429 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)nn1 ZINC001024135035 1073680867 /nfs/dbraw/zinc/68/08/67/1073680867.db2.gz KTDHGDAOHWUIRO-RUSTZOOPSA-N 1 2 388.388 -2.408 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)nn1 ZINC001024135035 1073680862 /nfs/dbraw/zinc/68/08/62/1073680862.db2.gz KTDHGDAOHWUIRO-RUSTZOOPSA-N 1 2 388.388 -2.408 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001024240091 1073694324 /nfs/dbraw/zinc/69/43/24/1073694324.db2.gz CCZCXEDCLZMQFJ-RGCMKSIDSA-N 1 2 391.428 -1.930 20 0 GAADLO O=C(CN1CCOCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024240270 1073694368 /nfs/dbraw/zinc/69/43/68/1073694368.db2.gz HAFMAEAMBTUGTR-HBJVGIJOSA-N 1 2 377.401 -1.940 20 0 GAADLO O=C(CN1CCOCC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024240270 1073694361 /nfs/dbraw/zinc/69/43/61/1073694361.db2.gz HAFMAEAMBTUGTR-HBJVGIJOSA-N 1 2 377.401 -1.940 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001024261294 1073695585 /nfs/dbraw/zinc/69/55/85/1073695585.db2.gz MBHCRSOTEVYNJN-RTWAVKEYSA-N 1 2 388.428 -1.438 20 0 GAADLO CN1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)CC1=O ZINC001024346595 1073698909 /nfs/dbraw/zinc/69/89/09/1073698909.db2.gz CPRYMLGBSAXCTM-QHSBEEBCSA-N 1 2 390.444 -2.025 20 0 GAADLO CN1CCN(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)CC1=O ZINC001024346595 1073698903 /nfs/dbraw/zinc/69/89/03/1073698903.db2.gz CPRYMLGBSAXCTM-QHSBEEBCSA-N 1 2 390.444 -2.025 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001024369030 1073703804 /nfs/dbraw/zinc/70/38/04/1073703804.db2.gz ZFJGPCWLZFUTEC-NLRBGTRBSA-N 1 2 386.412 -1.381 20 0 GAADLO Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024371241 1073703876 /nfs/dbraw/zinc/70/38/76/1073703876.db2.gz JPMQRPUUBJMNBF-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024371241 1073703872 /nfs/dbraw/zinc/70/38/72/1073703872.db2.gz JPMQRPUUBJMNBF-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024371397 1073703926 /nfs/dbraw/zinc/70/39/26/1073703926.db2.gz NVGZUMDGGNJURN-FPQZTECRSA-N 1 2 375.385 -1.746 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024371397 1073703920 /nfs/dbraw/zinc/70/39/20/1073703920.db2.gz NVGZUMDGGNJURN-FPQZTECRSA-N 1 2 375.385 -1.746 20 0 GAADLO O=C(CN1CCCNC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024371562 1073704451 /nfs/dbraw/zinc/70/44/51/1073704451.db2.gz QVUVXBLGWXUXLW-HBJVGIJOSA-N 1 2 376.417 -1.384 20 0 GAADLO O=C(CN1CCCNC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024371562 1073704441 /nfs/dbraw/zinc/70/44/41/1073704441.db2.gz QVUVXBLGWXUXLW-HBJVGIJOSA-N 1 2 376.417 -1.384 20 0 GAADLO Cc1ccc(=O)n(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024376283 1073701138 /nfs/dbraw/zinc/70/11/38/1073701138.db2.gz BHEBHGRNRWOJHW-QHSBEEBCSA-N 1 2 386.412 -1.234 20 0 GAADLO Cc1ccc(=O)n(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024376283 1073701127 /nfs/dbraw/zinc/70/11/27/1073701127.db2.gz BHEBHGRNRWOJHW-QHSBEEBCSA-N 1 2 386.412 -1.234 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024376300 1073701842 /nfs/dbraw/zinc/70/18/42/1073701842.db2.gz CDENOOJRLSQMHK-FPQZTECRSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024376300 1073701839 /nfs/dbraw/zinc/70/18/39/1073701839.db2.gz CDENOOJRLSQMHK-FPQZTECRSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(CN1CCC(=O)NC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376353 1073701772 /nfs/dbraw/zinc/70/17/72/1073701772.db2.gz FRPUPPQBMQJNEJ-FPQZTECRSA-N 1 2 390.400 -1.857 20 0 GAADLO O=C(CN1CCC(=O)NC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376353 1073701766 /nfs/dbraw/zinc/70/17/66/1073701766.db2.gz FRPUPPQBMQJNEJ-FPQZTECRSA-N 1 2 390.400 -1.857 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024376401 1073701705 /nfs/dbraw/zinc/70/17/05/1073701705.db2.gz IFIKLIKVCORHOJ-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024376401 1073701698 /nfs/dbraw/zinc/70/16/98/1073701698.db2.gz IFIKLIKVCORHOJ-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(CCn1cnccc1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376435 1073701661 /nfs/dbraw/zinc/70/16/61/1073701661.db2.gz JZVGSMMCYMBCRK-QHSBEEBCSA-N 1 2 386.412 -1.152 20 0 GAADLO O=C(CCn1cnccc1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376435 1073701653 /nfs/dbraw/zinc/70/16/53/1073701653.db2.gz JZVGSMMCYMBCRK-QHSBEEBCSA-N 1 2 386.412 -1.152 20 0 GAADLO O=C(CN1CC(=O)NC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376528 1073701637 /nfs/dbraw/zinc/70/16/37/1073701637.db2.gz OEVZNLRQPQXJNB-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO O=C(CN1CC(=O)NC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376528 1073701634 /nfs/dbraw/zinc/70/16/34/1073701634.db2.gz OEVZNLRQPQXJNB-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO CN1C(=O)CN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001024376540 1073701616 /nfs/dbraw/zinc/70/16/16/1073701616.db2.gz OWYDGNSJNHXWLJ-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO CN1C(=O)CN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001024376540 1073701609 /nfs/dbraw/zinc/70/16/09/1073701609.db2.gz OWYDGNSJNHXWLJ-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO Cc1nn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(=O)n1C ZINC001024376674 1073701815 /nfs/dbraw/zinc/70/18/15/1073701815.db2.gz WNBNISZRAKXCKO-HBJVGIJOSA-N 1 2 389.416 -1.895 20 0 GAADLO Cc1nn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(=O)n1C ZINC001024376674 1073701810 /nfs/dbraw/zinc/70/18/10/1073701810.db2.gz WNBNISZRAKXCKO-HBJVGIJOSA-N 1 2 389.416 -1.895 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024377812 1073710692 /nfs/dbraw/zinc/71/06/92/1073710692.db2.gz AFUGRIZRFADHJL-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024377812 1073710683 /nfs/dbraw/zinc/71/06/83/1073710683.db2.gz AFUGRIZRFADHJL-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO CN1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1=O ZINC001024378045 1073710752 /nfs/dbraw/zinc/71/07/52/1073710752.db2.gz GFBXAXMHIHEDAZ-QHSBEEBCSA-N 1 2 390.444 -2.025 20 0 GAADLO CN1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1=O ZINC001024378045 1073710743 /nfs/dbraw/zinc/71/07/43/1073710743.db2.gz GFBXAXMHIHEDAZ-QHSBEEBCSA-N 1 2 390.444 -2.025 20 0 GAADLO CN1CC(=O)N(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001024378072 1073710477 /nfs/dbraw/zinc/71/04/77/1073710477.db2.gz GSEFFLANYYUYFN-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO CN1CC(=O)N(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001024378072 1073710468 /nfs/dbraw/zinc/71/04/68/1073710468.db2.gz GSEFFLANYYUYFN-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001024378074 1073710563 /nfs/dbraw/zinc/71/05/63/1073710563.db2.gz GTFPASSTDBWTRC-NLRBGTRBSA-N 1 2 389.416 -1.247 20 0 GAADLO COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001024378074 1073710547 /nfs/dbraw/zinc/71/05/47/1073710547.db2.gz GTFPASSTDBWTRC-NLRBGTRBSA-N 1 2 389.416 -1.247 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378195 1073711820 /nfs/dbraw/zinc/71/18/20/1073711820.db2.gz IWGWRFKPHSVCNV-FPQZTECRSA-N 1 2 375.385 -1.650 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378195 1073711807 /nfs/dbraw/zinc/71/18/07/1073711807.db2.gz IWGWRFKPHSVCNV-FPQZTECRSA-N 1 2 375.385 -1.650 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378311 1073711718 /nfs/dbraw/zinc/71/17/18/1073711718.db2.gz LGFVUIJWWPIHAO-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378311 1073711706 /nfs/dbraw/zinc/71/17/06/1073711706.db2.gz LGFVUIJWWPIHAO-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1=O ZINC001024378519 1073711774 /nfs/dbraw/zinc/71/17/74/1073711774.db2.gz QAWYPQIHWUVCBN-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO Cn1c(=O)[nH]cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1=O ZINC001024378519 1073711762 /nfs/dbraw/zinc/71/17/62/1073711762.db2.gz QAWYPQIHWUVCBN-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO Cn1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1=O ZINC001024378552 1073711368 /nfs/dbraw/zinc/71/13/68/1073711368.db2.gz RTCGSOLSFXBZTI-FPQZTECRSA-N 1 2 375.389 -2.204 20 0 GAADLO Cn1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1=O ZINC001024378552 1073711364 /nfs/dbraw/zinc/71/13/64/1073711364.db2.gz RTCGSOLSFXBZTI-FPQZTECRSA-N 1 2 375.389 -2.204 20 0 GAADLO NC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001024378690 1073711868 /nfs/dbraw/zinc/71/18/68/1073711868.db2.gz UTARLGIVUHPTKG-QHSBEEBCSA-N 1 2 390.444 -1.008 20 0 GAADLO NC(=O)N1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001024378690 1073711858 /nfs/dbraw/zinc/71/18/58/1073711858.db2.gz UTARLGIVUHPTKG-QHSBEEBCSA-N 1 2 390.444 -1.008 20 0 GAADLO NC(=O)c1nccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378726 1073711619 /nfs/dbraw/zinc/71/16/19/1073711619.db2.gz WPEBLKMGKOXLCD-CNVPUSNMSA-N 1 2 385.384 -1.596 20 0 GAADLO NC(=O)c1nccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378726 1073711614 /nfs/dbraw/zinc/71/16/14/1073711614.db2.gz WPEBLKMGKOXLCD-CNVPUSNMSA-N 1 2 385.384 -1.596 20 0 GAADLO O=C(CC1CS(=O)(=O)C1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378729 1073711594 /nfs/dbraw/zinc/71/15/94/1073711594.db2.gz WSPSOFKBYNPAKW-HBJVGIJOSA-N 1 2 382.442 -1.364 20 0 GAADLO O=C(CC1CS(=O)(=O)C1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378729 1073711589 /nfs/dbraw/zinc/71/15/89/1073711589.db2.gz WSPSOFKBYNPAKW-HBJVGIJOSA-N 1 2 382.442 -1.364 20 0 GAADLO O=C(CN1CCNC(=O)C1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378775 1073711521 /nfs/dbraw/zinc/71/15/21/1073711521.db2.gz ZDBJRUYBTIKSDJ-HBJVGIJOSA-N 1 2 376.417 -2.367 20 0 GAADLO O=C(CN1CCNC(=O)C1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378775 1073711516 /nfs/dbraw/zinc/71/15/16/1073711516.db2.gz ZDBJRUYBTIKSDJ-HBJVGIJOSA-N 1 2 376.417 -2.367 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024378885 1073711458 /nfs/dbraw/zinc/71/14/58/1073711458.db2.gz AOVHXYBXNMDGEF-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024378885 1073711451 /nfs/dbraw/zinc/71/14/51/1073711451.db2.gz AOVHXYBXNMDGEF-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(CCN1C(=O)CCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378945 1073711484 /nfs/dbraw/zinc/71/14/84/1073711484.db2.gz CAYHZTZITZDMQW-HBJVGIJOSA-N 1 2 389.412 -1.260 20 0 GAADLO O=C(CCN1C(=O)CCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378945 1073711476 /nfs/dbraw/zinc/71/14/76/1073711476.db2.gz CAYHZTZITZDMQW-HBJVGIJOSA-N 1 2 389.412 -1.260 20 0 GAADLO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379073 1073711404 /nfs/dbraw/zinc/71/14/04/1073711404.db2.gz GFLHRVKKDOLSMN-FPQZTECRSA-N 1 2 388.384 -1.836 20 0 GAADLO O=C(Cn1ccc(=O)[nH]c1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379073 1073711384 /nfs/dbraw/zinc/71/13/84/1073711384.db2.gz GFLHRVKKDOLSMN-FPQZTECRSA-N 1 2 388.384 -1.836 20 0 GAADLO Cn1cnn(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1=O ZINC001024379122 1073711545 /nfs/dbraw/zinc/71/15/45/1073711545.db2.gz HJBSQRSNLYPZMT-HBJVGIJOSA-N 1 2 389.416 -1.813 20 0 GAADLO Cn1cnn(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1=O ZINC001024379122 1073711541 /nfs/dbraw/zinc/71/15/41/1073711541.db2.gz HJBSQRSNLYPZMT-HBJVGIJOSA-N 1 2 389.416 -1.813 20 0 GAADLO O=C(CN1CCOCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024379387 1073711671 /nfs/dbraw/zinc/71/16/71/1073711671.db2.gz NAECGYUFVNGMRS-HBJVGIJOSA-N 1 2 377.401 -1.940 20 0 GAADLO O=C(CN1CCOCC1=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024379387 1073711660 /nfs/dbraw/zinc/71/16/60/1073711660.db2.gz NAECGYUFVNGMRS-HBJVGIJOSA-N 1 2 377.401 -1.940 20 0 GAADLO NC(=O)c1ncn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001024379663 1073711432 /nfs/dbraw/zinc/71/14/32/1073711432.db2.gz UKUWCFCKRGURDV-CNVPUSNMSA-N 1 2 388.388 -2.408 20 0 GAADLO NC(=O)c1ncn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001024379663 1073711427 /nfs/dbraw/zinc/71/14/27/1073711427.db2.gz UKUWCFCKRGURDV-CNVPUSNMSA-N 1 2 388.388 -2.408 20 0 GAADLO NC(=O)Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001024379746 1073711345 /nfs/dbraw/zinc/71/13/45/1073711345.db2.gz YSTXMVUOOUZGDS-RUSTZOOPSA-N 1 2 388.388 -2.408 20 0 GAADLO NC(=O)Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001024379746 1073711339 /nfs/dbraw/zinc/71/13/39/1073711339.db2.gz YSTXMVUOOUZGDS-RUSTZOOPSA-N 1 2 388.388 -2.408 20 0 GAADLO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c(=O)[nH]c1=O ZINC001024379764 1073711570 /nfs/dbraw/zinc/71/15/70/1073711570.db2.gz ZLKCHSIXBVAUFJ-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c(=O)[nH]c1=O ZINC001024379764 1073711565 /nfs/dbraw/zinc/71/15/65/1073711565.db2.gz ZLKCHSIXBVAUFJ-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)c[nH+]1 ZINC001024384221 1073705022 /nfs/dbraw/zinc/70/50/22/1073705022.db2.gz RKLANCVNPPBNSW-YIYPIFLZSA-N 1 2 393.444 -1.353 20 0 GAADLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O ZINC001024385581 1073705119 /nfs/dbraw/zinc/70/51/19/1073705119.db2.gz GOHYKQSUZBEZGO-RJZRQDKASA-N 1 2 392.412 -1.647 20 0 GAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4n[nH]nc43)C[C@H]2O)O1 ZINC001024387297 1073705708 /nfs/dbraw/zinc/70/57/08/1073705708.db2.gz MSOPYEVMQCQPNL-JUDXGUMMSA-N 1 2 388.428 -1.022 20 0 GAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4n[nH]nc43)C[C@H]2O)O1 ZINC001024387297 1073705694 /nfs/dbraw/zinc/70/56/94/1073705694.db2.gz MSOPYEVMQCQPNL-JUDXGUMMSA-N 1 2 388.428 -1.022 20 0 GAADLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]cc4ncnc3-4)C[C@H]2O)O1 ZINC001024389216 1073707584 /nfs/dbraw/zinc/70/75/84/1073707584.db2.gz ANBZKEKVUNULBC-JUDXGUMMSA-N 1 2 388.428 -1.022 20 0 GAADLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]cc4ncnc3-4)C[C@H]2O)O1 ZINC001024389216 1073707575 /nfs/dbraw/zinc/70/75/75/1073707575.db2.gz ANBZKEKVUNULBC-JUDXGUMMSA-N 1 2 388.428 -1.022 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001024402181 1073713695 /nfs/dbraw/zinc/71/36/95/1073713695.db2.gz DFSIGDBIMQGRKS-WFFHOREQSA-N 1 2 392.334 -1.014 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001024403413 1073713534 /nfs/dbraw/zinc/71/35/34/1073713534.db2.gz UIXJFPNRECEABJ-WFFHOREQSA-N 1 2 392.334 -1.083 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001024403532 1073713348 /nfs/dbraw/zinc/71/33/48/1073713348.db2.gz WNGPQNOUAAPALF-RQSQLSILSA-N 1 2 392.334 -1.014 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001024413313 1073714711 /nfs/dbraw/zinc/71/47/11/1073714711.db2.gz JSSQDNRFDFDSPB-SYQHCUMBSA-N 1 2 379.417 -1.616 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001024416612 1073714132 /nfs/dbraw/zinc/71/41/32/1073714132.db2.gz STHSYDIPQWMAKO-YIYPIFLZSA-N 1 2 379.417 -1.793 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1O ZINC001024419050 1073714162 /nfs/dbraw/zinc/71/41/62/1073714162.db2.gz CBUOKLKMIZCZAK-KCYZZUKISA-N 1 2 388.428 -1.127 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1O ZINC001024420440 1073714088 /nfs/dbraw/zinc/71/40/88/1073714088.db2.gz FHPYNFCSJLWIKT-WFFHOREQSA-N 1 2 392.334 -1.083 20 0 GAADLO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024441461 1073720581 /nfs/dbraw/zinc/72/05/81/1073720581.db2.gz DNISAMZSJAJXOM-HBJVGIJOSA-N 1 2 382.442 -1.364 20 0 GAADLO O=C(CC1CS(=O)(=O)C1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024441461 1073720572 /nfs/dbraw/zinc/72/05/72/1073720572.db2.gz DNISAMZSJAJXOM-HBJVGIJOSA-N 1 2 382.442 -1.364 20 0 GAADLO Cn1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)c1=O ZINC001024444557 1073720973 /nfs/dbraw/zinc/72/09/73/1073720973.db2.gz MWPILQUAFWPJEA-HKUMRIAESA-N 1 2 389.416 -2.193 20 0 GAADLO Cn1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1=O ZINC001024445136 1073721537 /nfs/dbraw/zinc/72/15/37/1073721537.db2.gz WUBSSMCTMNHVSL-FPQZTECRSA-N 1 2 375.389 -2.204 20 0 GAADLO Cn1cnn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1=O ZINC001024445136 1073721522 /nfs/dbraw/zinc/72/15/22/1073721522.db2.gz WUBSSMCTMNHVSL-FPQZTECRSA-N 1 2 375.389 -2.204 20 0 GAADLO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024475983 1073726028 /nfs/dbraw/zinc/72/60/28/1073726028.db2.gz FDVLQRNJPNNOGP-FPQZTECRSA-N 1 2 388.384 -1.836 20 0 GAADLO O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024475983 1073726017 /nfs/dbraw/zinc/72/60/17/1073726017.db2.gz FDVLQRNJPNNOGP-FPQZTECRSA-N 1 2 388.384 -1.836 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC001024493906 1073728915 /nfs/dbraw/zinc/72/89/15/1073728915.db2.gz YNDLIKPINFOJFR-APIJFGDWSA-N 1 2 387.396 -1.103 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001024562690 1073736186 /nfs/dbraw/zinc/73/61/86/1073736186.db2.gz SNKLGKWKSRUBCD-RGCMKSIDSA-N 1 2 390.444 -1.373 20 0 GAADLO O=C(CN1CCCNC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024562924 1073736716 /nfs/dbraw/zinc/73/67/16/1073736716.db2.gz ZNQNNWOIXLXFRA-HBJVGIJOSA-N 1 2 376.417 -1.384 20 0 GAADLO O=C(CN1CCCNC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024562924 1073736708 /nfs/dbraw/zinc/73/67/08/1073736708.db2.gz ZNQNNWOIXLXFRA-HBJVGIJOSA-N 1 2 376.417 -1.384 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)O1 ZINC001024622990 1073741829 /nfs/dbraw/zinc/74/18/29/1073741829.db2.gz GAAQQQDYMNUBEI-RUZUBIRVSA-N 1 2 387.396 -1.331 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ccc2nnnn2c1 ZINC001024629469 1073741924 /nfs/dbraw/zinc/74/19/24/1073741924.db2.gz QGYHZSXWLMHSOK-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccc2nnnn2c1 ZINC001024629469 1073741914 /nfs/dbraw/zinc/74/19/14/1073741914.db2.gz QGYHZSXWLMHSOK-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024657876 1073744232 /nfs/dbraw/zinc/74/42/32/1073744232.db2.gz VPEUPLYHBNMTFY-FPQZTECRSA-N 1 2 375.385 -1.746 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001024657876 1073744218 /nfs/dbraw/zinc/74/42/18/1073744218.db2.gz VPEUPLYHBNMTFY-FPQZTECRSA-N 1 2 375.385 -1.746 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001024658597 1073744393 /nfs/dbraw/zinc/74/43/93/1073744393.db2.gz GPZNVENVTJOBFJ-HKUMRIAESA-N 1 2 389.412 -1.736 20 0 GAADLO Cc1cccn2cc(CC(=O)N[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3O)[nH+]c12 ZINC001024663227 1073745119 /nfs/dbraw/zinc/74/51/19/1073745119.db2.gz CVNRDDKOSZKUIQ-LXTVHRRPSA-N 1 2 385.424 -1.005 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001024698638 1073746959 /nfs/dbraw/zinc/74/69/59/1073746959.db2.gz YELHHUIQFBBSKS-AYRXBEOTSA-N 1 2 384.396 -1.310 20 0 GAADLO CN1C(=O)CN(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)C1=O ZINC001024761758 1073750949 /nfs/dbraw/zinc/75/09/49/1073750949.db2.gz BWMUDHCVTVSPCN-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO CN1C(=O)CN(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)C1=O ZINC001024761758 1073750934 /nfs/dbraw/zinc/75/09/34/1073750934.db2.gz BWMUDHCVTVSPCN-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O ZINC001024776608 1073752166 /nfs/dbraw/zinc/75/21/66/1073752166.db2.gz GUKQBNYEYDYTSF-TUVASFSCSA-N 1 2 393.444 -1.536 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1O ZINC001024777147 1073752360 /nfs/dbraw/zinc/75/23/60/1073752360.db2.gz SCXYZDKPQSOJIC-LAWJPMAJSA-N 1 2 378.429 -1.298 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)O1 ZINC001024777465 1073752195 /nfs/dbraw/zinc/75/21/95/1073752195.db2.gz BRZXRABRTPWASX-APIJFGDWSA-N 1 2 393.444 -1.714 20 0 GAADLO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001024870450 1073755270 /nfs/dbraw/zinc/75/52/70/1073755270.db2.gz DKJVQLVRNCVGAI-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001024870450 1073755259 /nfs/dbraw/zinc/75/52/59/1073755259.db2.gz DKJVQLVRNCVGAI-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)n1 ZINC001024944461 1073763404 /nfs/dbraw/zinc/76/34/04/1073763404.db2.gz LICFJOZJKAEELX-QHSBEEBCSA-N 1 2 386.412 -1.234 20 0 GAADLO Cc1ccc(=O)n(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)n1 ZINC001024944461 1073763393 /nfs/dbraw/zinc/76/33/93/1073763393.db2.gz LICFJOZJKAEELX-QHSBEEBCSA-N 1 2 386.412 -1.234 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O ZINC001024955719 1073763845 /nfs/dbraw/zinc/76/38/45/1073763845.db2.gz GBLSWVIWOIDYKO-NGFQHRJXSA-N 1 2 393.444 -1.238 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1O ZINC001024958827 1073764542 /nfs/dbraw/zinc/76/45/42/1073764542.db2.gz ZTTNBEKCXLHEGL-APIJFGDWSA-N 1 2 393.444 -1.416 20 0 GAADLO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c1=O ZINC001024992095 1073766775 /nfs/dbraw/zinc/76/67/75/1073766775.db2.gz MGYFPUROVAUVSA-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c1=O ZINC001024992095 1073766767 /nfs/dbraw/zinc/76/67/67/1073766767.db2.gz MGYFPUROVAUVSA-NRMKKVEVSA-N 1 2 388.384 -1.686 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1ccn2nnnc2c1 ZINC001024997507 1073767897 /nfs/dbraw/zinc/76/78/97/1073767897.db2.gz QRKBPPDRHHGKSW-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1ccn2nnnc2c1 ZINC001024997507 1073767890 /nfs/dbraw/zinc/76/78/90/1073767890.db2.gz QRKBPPDRHHGKSW-HBJVGIJOSA-N 1 2 382.384 -1.047 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001025003366 1073768540 /nfs/dbraw/zinc/76/85/40/1073768540.db2.gz VPBMKJOMMADLIU-RGCMKSIDSA-N 1 2 390.444 -2.357 20 0 GAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025003480 1073768447 /nfs/dbraw/zinc/76/84/47/1073768447.db2.gz WQUSCGYOZMBLPG-HBJVGIJOSA-N 1 2 376.417 -2.367 20 0 GAADLO O=C(CN1CCNC(=O)C1)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025003480 1073768434 /nfs/dbraw/zinc/76/84/34/1073768434.db2.gz WQUSCGYOZMBLPG-HBJVGIJOSA-N 1 2 376.417 -2.367 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001025036005 1073771353 /nfs/dbraw/zinc/77/13/53/1073771353.db2.gz QATQQOKZDGZFEI-RTWAVKEYSA-N 1 2 386.412 -1.381 20 0 GAADLO NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025054920 1073773738 /nfs/dbraw/zinc/77/37/38/1073773738.db2.gz BODJQNYASPGZBX-SYQHCUMBSA-N 1 2 384.433 -2.571 20 0 GAADLO CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001025055107 1073773905 /nfs/dbraw/zinc/77/39/05/1073773905.db2.gz GSABCLGBSIBMLL-TUVASFSCSA-N 1 2 387.502 -1.083 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025055379 1073774428 /nfs/dbraw/zinc/77/44/28/1073774428.db2.gz LUTLDRVGSRHTPK-FPCVCCKLSA-N 1 2 393.444 -1.409 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025056014 1073774340 /nfs/dbraw/zinc/77/43/40/1073774340.db2.gz YVWJMWSVUYJVRP-TUVASFSCSA-N 1 2 393.444 -1.409 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025056029 1073774499 /nfs/dbraw/zinc/77/44/99/1073774499.db2.gz ZHPGXHWVTGXCFR-MIGQKNRLSA-N 1 2 393.444 -1.409 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)C(F)F)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025056051 1073774446 /nfs/dbraw/zinc/77/44/46/1073774446.db2.gz ZTMYXCGKBGPKLZ-LPWJVIDDSA-N 1 2 377.388 -1.181 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001025062134 1073776039 /nfs/dbraw/zinc/77/60/39/1073776039.db2.gz LPIWPEZCVVPJGF-LAWJPMAJSA-N 1 2 378.429 -1.298 20 0 GAADLO Cc1nn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)c(=O)n1C ZINC001025088612 1073779841 /nfs/dbraw/zinc/77/98/41/1073779841.db2.gz GRKDERZWJFXGMD-HBJVGIJOSA-N 1 2 389.416 -1.895 20 0 GAADLO Cc1nn(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)c(=O)n1C ZINC001025088612 1073779836 /nfs/dbraw/zinc/77/98/36/1073779836.db2.gz GRKDERZWJFXGMD-HBJVGIJOSA-N 1 2 389.416 -1.895 20 0 GAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025094253 1073780405 /nfs/dbraw/zinc/78/04/05/1073780405.db2.gz HLMHPQFHCIMNDN-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025094253 1073780399 /nfs/dbraw/zinc/78/03/99/1073780399.db2.gz HLMHPQFHCIMNDN-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001025094836 1073780362 /nfs/dbraw/zinc/78/03/62/1073780362.db2.gz BOZRWYMAAHGTFM-PRULPYPASA-N 1 2 390.400 -2.237 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O)c1nc2ncccn2n1 ZINC001025228831 1073786221 /nfs/dbraw/zinc/78/62/21/1073786221.db2.gz UWGCXWMYVXBKCL-FPQZTECRSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O)c1nc2ncccn2n1 ZINC001025228831 1073786214 /nfs/dbraw/zinc/78/62/14/1073786214.db2.gz UWGCXWMYVXBKCL-FPQZTECRSA-N 1 2 382.384 -1.047 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1O ZINC001025301112 1073796179 /nfs/dbraw/zinc/79/61/79/1073796179.db2.gz UDBCUVJDCLADFX-RQSQLSILSA-N 1 2 392.334 -1.014 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001025302607 1073796205 /nfs/dbraw/zinc/79/62/05/1073796205.db2.gz SLQFMVRWKSQRRD-LPWJVIDDSA-N 1 2 379.417 -1.547 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001025303376 1073796147 /nfs/dbraw/zinc/79/61/47/1073796147.db2.gz ASOLTPPQRNTGHJ-FVCCEPFGSA-N 1 2 379.417 -1.724 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1O ZINC001025305676 1073796328 /nfs/dbraw/zinc/79/63/28/1073796328.db2.gz LYUYSBVEOGOVLU-VMUDFCTBSA-N 1 2 388.428 -1.058 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001025316232 1073796867 /nfs/dbraw/zinc/79/68/67/1073796867.db2.gz IBBLEQLLGQZGIA-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001025456241 1073811326 /nfs/dbraw/zinc/81/13/26/1073811326.db2.gz KGASFXXKWAGFOH-AYRXBEOTSA-N 1 2 384.396 -1.310 20 0 GAADLO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025659997 1073818285 /nfs/dbraw/zinc/81/82/85/1073818285.db2.gz ZGGJWGQKMNNWLA-FPQZTECRSA-N 1 2 390.400 -1.857 20 0 GAADLO O=C(CN1CCC(=O)NC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025659997 1073818272 /nfs/dbraw/zinc/81/82/72/1073818272.db2.gz ZGGJWGQKMNNWLA-FPQZTECRSA-N 1 2 390.400 -1.857 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)O1 ZINC001025676553 1073819038 /nfs/dbraw/zinc/81/90/38/1073819038.db2.gz CRLDBPGDLAUWPI-TUVASFSCSA-N 1 2 393.444 -1.334 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)O1 ZINC001025676553 1073819026 /nfs/dbraw/zinc/81/90/26/1073819026.db2.gz CRLDBPGDLAUWPI-TUVASFSCSA-N 1 2 393.444 -1.334 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)O1 ZINC001025676563 1073819639 /nfs/dbraw/zinc/81/96/39/1073819639.db2.gz DFJIGOJLTFKGQL-LPWJVIDDSA-N 1 2 379.417 -1.724 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)O1 ZINC001025676567 1073819658 /nfs/dbraw/zinc/81/96/58/1073819658.db2.gz DSARJJUYTXUGHQ-SYQHCUMBSA-N 1 2 379.417 -1.793 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)O1 ZINC001025676598 1073819593 /nfs/dbraw/zinc/81/95/93/1073819593.db2.gz FZHRVLIQTHSLEK-TUVASFSCSA-N 1 2 393.444 -1.714 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)O1 ZINC001025676666 1073819843 /nfs/dbraw/zinc/81/98/43/1073819843.db2.gz IKETYKVNGSTRLH-SYQHCUMBSA-N 1 2 393.444 -1.334 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)O1 ZINC001025676684 1073819779 /nfs/dbraw/zinc/81/97/79/1073819779.db2.gz JBLWLPLGYZMTSQ-TUVASFSCSA-N 1 2 393.444 -1.403 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001025676847 1073820863 /nfs/dbraw/zinc/82/08/63/1073820863.db2.gz QEEBOCYIBVZYOZ-TUVASFSCSA-N 1 2 393.444 -1.416 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001025676913 1073821140 /nfs/dbraw/zinc/82/11/40/1073821140.db2.gz ALKMYXXKKPRKOM-YIYPIFLZSA-N 1 2 379.417 -1.927 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2O)O1 ZINC001025677161 1073822883 /nfs/dbraw/zinc/82/28/83/1073822883.db2.gz JCNAUKWZSGILQF-RUZUBIRVSA-N 1 2 387.396 -1.331 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001025677542 1073825304 /nfs/dbraw/zinc/82/53/04/1073825304.db2.gz TYQDQCBJRUGSKW-FVCCEPFGSA-N 1 2 379.417 -1.927 20 0 GAADLO CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1)c1c[nH+]c[nH]1 ZINC001025677605 1073825693 /nfs/dbraw/zinc/82/56/93/1073825693.db2.gz XNVAVGOPUQPBIC-WISYIIOYSA-N 1 2 379.417 -1.592 20 0 GAADLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001025677810 1073826714 /nfs/dbraw/zinc/82/67/14/1073826714.db2.gz BUNZFXTYRYLKHI-RJZRQDKASA-N 1 2 392.412 -1.647 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)O1 ZINC001025678232 1073831188 /nfs/dbraw/zinc/83/11/88/1073831188.db2.gz WESFWNPFPQULFO-APIJFGDWSA-N 1 2 387.396 -1.103 20 0 GAADLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c[nH+]1 ZINC001025678293 1073831879 /nfs/dbraw/zinc/83/18/79/1073831879.db2.gz ZBYNKMWAXXTBGA-YIYPIFLZSA-N 1 2 393.444 -1.353 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)O1 ZINC001025678932 1073832557 /nfs/dbraw/zinc/83/25/57/1073832557.db2.gz APRBYRKQPNFEHS-SYQHCUMBSA-N 1 2 379.417 -1.724 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1O ZINC001025691994 1073834387 /nfs/dbraw/zinc/83/43/87/1073834387.db2.gz BVMBQTNDTDSKEN-AYRXBEOTSA-N 1 2 384.396 -1.310 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1O ZINC001025692036 1073834422 /nfs/dbraw/zinc/83/44/22/1073834422.db2.gz DUKRTLALIATZMD-REWJHTLYSA-N 1 2 377.445 -1.235 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1O ZINC001025692147 1073835184 /nfs/dbraw/zinc/83/51/84/1073835184.db2.gz KLHUYQIPDGZGLZ-GBJTYRQASA-N 1 2 377.445 -1.235 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001025692963 1073836798 /nfs/dbraw/zinc/83/67/98/1073836798.db2.gz OHXYMFADYXTWFX-XJFOESAGSA-N 1 2 377.445 -1.058 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1O ZINC001025693833 1073839142 /nfs/dbraw/zinc/83/91/42/1073839142.db2.gz XZCYHYBMRPQCRE-AYRXBEOTSA-N 1 2 384.396 -1.310 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001025694352 1073840832 /nfs/dbraw/zinc/84/08/32/1073840832.db2.gz VGPXWWQFEXVHGX-AYRXBEOTSA-N 1 2 377.445 -1.058 20 0 GAADLO Cc1cccn2cc(CC(=O)N3C[C@@H](O)[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)C3)[nH+]c12 ZINC001025696317 1073845427 /nfs/dbraw/zinc/84/54/27/1073845427.db2.gz CMMKLXMCYBVOSV-LXTVHRRPSA-N 1 2 385.424 -1.005 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1O ZINC001025697017 1073846518 /nfs/dbraw/zinc/84/65/18/1073846518.db2.gz AVHSBXZCJYRNSO-XJFOESAGSA-N 1 2 392.481 -1.085 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1O ZINC001025697017 1073846507 /nfs/dbraw/zinc/84/65/07/1073846507.db2.gz AVHSBXZCJYRNSO-XJFOESAGSA-N 1 2 392.481 -1.085 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1O ZINC001025697271 1073847182 /nfs/dbraw/zinc/84/71/82/1073847182.db2.gz LNZGYBGAICLIAT-XJFOESAGSA-N 1 2 375.429 -1.429 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001025698512 1073850470 /nfs/dbraw/zinc/85/04/70/1073850470.db2.gz SQRGMKOZGZRDDL-HMYIPDOQSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1O ZINC001025708053 1073851388 /nfs/dbraw/zinc/85/13/88/1073851388.db2.gz BOCJRFGMFPXGKS-HKUMRIAESA-N 1 2 389.412 -1.736 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1O ZINC001025708069 1073851458 /nfs/dbraw/zinc/85/14/58/1073851458.db2.gz CMENALQUBYEOHJ-RTWAVKEYSA-N 1 2 386.412 -1.381 20 0 GAADLO CC(=O)N1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001025708378 1073852060 /nfs/dbraw/zinc/85/20/60/1073852060.db2.gz LKKQELZACJHMIQ-IXYNUQLISA-N 1 2 375.429 -1.310 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1O ZINC001025708425 1073852241 /nfs/dbraw/zinc/85/22/41/1073852241.db2.gz MDKLWMCGCCNRBM-IXYNUQLISA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1O ZINC001025708462 1073851907 /nfs/dbraw/zinc/85/19/07/1073851907.db2.gz NGGWIBRPWSSQRC-RGCMKSIDSA-N 1 2 390.444 -1.373 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1O ZINC001025708508 1073852266 /nfs/dbraw/zinc/85/22/66/1073852266.db2.gz PKIISJWVJNFBMK-RGCMKSIDSA-N 1 2 375.429 -1.166 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1O ZINC001025708784 1073851854 /nfs/dbraw/zinc/85/18/54/1073851854.db2.gz YTKIWHOCHOCURP-PRULPYPASA-N 1 2 375.389 -1.791 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1O ZINC001025708799 1073852027 /nfs/dbraw/zinc/85/20/27/1073852027.db2.gz ZHFVJYNCRIBMFB-PRULPYPASA-N 1 2 375.385 -1.183 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1O ZINC001025708975 1073851986 /nfs/dbraw/zinc/85/19/86/1073851986.db2.gz AOGLBLYUYYPING-NLRBGTRBSA-N 1 2 386.412 -1.381 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1O ZINC001025709196 1073851947 /nfs/dbraw/zinc/85/19/47/1073851947.db2.gz CDJGTKZXXHPRLZ-IXYNUQLISA-N 1 2 387.444 -1.027 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1O ZINC001025709253 1073851811 /nfs/dbraw/zinc/85/18/11/1073851811.db2.gz HPVMQOJQBHBPAJ-RTWAVKEYSA-N 1 2 388.428 -1.438 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1O ZINC001025709266 1073852216 /nfs/dbraw/zinc/85/22/16/1073852216.db2.gz DLWBWDYATOJONX-HMYIPDOQSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1cnn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c1=O ZINC001025709322 1073852284 /nfs/dbraw/zinc/85/22/84/1073852284.db2.gz JFHPSCOXQJWNDW-HKUMRIAESA-N 1 2 389.416 -2.193 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1O ZINC001025709408 1073851834 /nfs/dbraw/zinc/85/18/34/1073851834.db2.gz NDGVXUQXNQPKPT-RGCMKSIDSA-N 1 2 391.428 -1.930 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1O ZINC001025709610 1073852117 /nfs/dbraw/zinc/85/21/17/1073852117.db2.gz KLTOBLVVGHOFMR-HKUMRIAESA-N 1 2 389.412 -1.640 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1O ZINC001025709622 1073852142 /nfs/dbraw/zinc/85/21/42/1073852142.db2.gz RUJUMZDMVAJXPN-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1O ZINC001025709679 1073852897 /nfs/dbraw/zinc/85/28/97/1073852897.db2.gz VIWAWPFRABKRPR-RGCMKSIDSA-N 1 2 390.444 -2.357 20 0 GAADLO Cn1cc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001025709740 1073852732 /nfs/dbraw/zinc/85/27/32/1073852732.db2.gz YMRYRFBTGWKOJS-IXYNUQLISA-N 1 2 387.444 -1.027 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1O ZINC001025709788 1073852701 /nfs/dbraw/zinc/85/27/01/1073852701.db2.gz LTSUMGJOBJYATC-PRULPYPASA-N 1 2 390.400 -2.237 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1O ZINC001025709814 1073852626 /nfs/dbraw/zinc/85/26/26/1073852626.db2.gz MPTSBGBVEFAOHX-NLRBGTRBSA-N 1 2 386.412 -1.048 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1O ZINC001025709869 1073852829 /nfs/dbraw/zinc/85/28/29/1073852829.db2.gz OTHLIUMWFMMIBS-NLRBGTRBSA-N 1 2 386.412 -1.381 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O ZINC001025709957 1073852789 /nfs/dbraw/zinc/85/27/89/1073852789.db2.gz UJLCLTYVMMWZCG-HKUMRIAESA-N 1 2 382.442 -1.744 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1O ZINC001025710139 1073852599 /nfs/dbraw/zinc/85/25/99/1073852599.db2.gz ZHWUOXRVCUFMFR-PRULPYPASA-N 1 2 390.400 -2.237 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001025721931 1073853904 /nfs/dbraw/zinc/85/39/04/1073853904.db2.gz INXCZAZGQAYIIE-NLRBGTRBSA-N 1 2 386.412 -1.381 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1O ZINC001025732550 1073854762 /nfs/dbraw/zinc/85/47/62/1073854762.db2.gz AGNZGDXZLDFLGQ-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1O ZINC001025732550 1073854756 /nfs/dbraw/zinc/85/47/56/1073854756.db2.gz AGNZGDXZLDFLGQ-CNVPUSNMSA-N 1 2 376.373 -2.247 20 0 GAADLO CN1CC(=O)N(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)C1=O ZINC001025732676 1073854673 /nfs/dbraw/zinc/85/46/73/1073854673.db2.gz GJGOUVUFYCYECJ-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO CN1CC(=O)N(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)C1=O ZINC001025732676 1073854661 /nfs/dbraw/zinc/85/46/61/1073854661.db2.gz GJGOUVUFYCYECJ-FPQZTECRSA-N 1 2 390.400 -1.905 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001025732777 1073854828 /nfs/dbraw/zinc/85/48/28/1073854828.db2.gz KGHZYVAEWFVETH-PRULPYPASA-N 1 2 390.400 -2.237 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001025800805 1073860047 /nfs/dbraw/zinc/86/00/47/1073860047.db2.gz CUZHOYJZVJACBR-SYQHCUMBSA-N 1 2 379.417 -1.547 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1O ZINC001025803684 1073859961 /nfs/dbraw/zinc/85/99/61/1073859961.db2.gz IEFBRQWLEHPWGC-WFFHOREQSA-N 1 2 392.334 -1.014 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001025804382 1073860287 /nfs/dbraw/zinc/86/02/87/1073860287.db2.gz BUBTWJWZQXOFMG-YIYPIFLZSA-N 1 2 379.417 -1.724 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1O ZINC001025804873 1073860190 /nfs/dbraw/zinc/86/01/90/1073860190.db2.gz VCUVPQXDFFWTBG-DNNBLBMLSA-N 1 2 388.428 -1.058 20 0 GAADLO O=C(C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001028039667 1073941416 /nfs/dbraw/zinc/94/14/16/1073941416.db2.gz PHADKZADIKQLOS-LNORHHCFSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001028039667 1073941410 /nfs/dbraw/zinc/94/14/10/1073941410.db2.gz PHADKZADIKQLOS-LNORHHCFSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001028039668 1073941396 /nfs/dbraw/zinc/94/13/96/1073941396.db2.gz PHADKZADIKQLOS-YQBONMRBSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNC(=O)C1 ZINC001028039668 1073941391 /nfs/dbraw/zinc/94/13/91/1073941391.db2.gz PHADKZADIKQLOS-YQBONMRBSA-N 1 2 376.457 -1.051 20 0 GAADLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001031871828 1074690607 /nfs/dbraw/zinc/69/06/07/1074690607.db2.gz RKKLQXSRSSKTTG-GRDNDAEWSA-N 1 2 380.445 -1.956 20 0 GAADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CNC1=O ZINC001032535543 1074764167 /nfs/dbraw/zinc/76/41/67/1074764167.db2.gz NKHKIEKLXYXABY-SMSYFYOWSA-N 1 2 378.429 -1.125 20 0 GAADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CNC1=O ZINC001032535543 1074764161 /nfs/dbraw/zinc/76/41/61/1074764161.db2.gz NKHKIEKLXYXABY-SMSYFYOWSA-N 1 2 378.429 -1.125 20 0 GAADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001033283232 1074853007 /nfs/dbraw/zinc/85/30/07/1074853007.db2.gz UBYQEHMCJGFAGW-LNORHHCFSA-N 1 2 376.457 -1.099 20 0 GAADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001033283232 1074853004 /nfs/dbraw/zinc/85/30/04/1074853004.db2.gz UBYQEHMCJGFAGW-LNORHHCFSA-N 1 2 376.457 -1.099 20 0 GAADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001033283237 1074853046 /nfs/dbraw/zinc/85/30/46/1074853046.db2.gz UBYQEHMCJGFAGW-YQBONMRBSA-N 1 2 376.457 -1.099 20 0 GAADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC001033283237 1074853042 /nfs/dbraw/zinc/85/30/42/1074853042.db2.gz UBYQEHMCJGFAGW-YQBONMRBSA-N 1 2 376.457 -1.099 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1O ZINC001041326133 1073400305 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1073400753 /nfs/dbraw/zinc/40/07/53/1073400753.db2.gz KZAZLEKNXAPAGJ-APIJFGDWSA-N 1 2 390.444 -1.837 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1O ZINC001041417069 1073402373 /nfs/dbraw/zinc/40/23/73/1073402373.db2.gz DFLIBHFNHBQUNH-SRMUXQRQSA-N 1 2 377.445 -1.066 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1O ZINC001041417069 1073402368 /nfs/dbraw/zinc/40/23/68/1073402368.db2.gz DFLIBHFNHBQUNH-SRMUXQRQSA-N 1 2 377.445 -1.066 20 0 GAADLO CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001042978642 1073403746 /nfs/dbraw/zinc/40/37/46/1073403746.db2.gz FSSPBHIDCVRLEC-YVECIDJPSA-N 1 2 389.416 -1.284 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043672851 1073409005 /nfs/dbraw/zinc/40/90/05/1073409005.db2.gz AYHBXEYOODZDLH-LPWJVIDDSA-N 1 2 375.429 -1.073 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 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ZINC001065685337 1074909717 /nfs/dbraw/zinc/90/97/17/1074909717.db2.gz CTDMIQHBCPKPAQ-UZVBGSJOSA-N 1 2 391.472 -1.177 20 0 GAADLO NC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001065685965 1074909767 /nfs/dbraw/zinc/90/97/67/1074909767.db2.gz KBSDDKFSJDYIBI-TUVASFSCSA-N 1 2 379.461 -1.033 20 0 GAADLO NC(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001065685966 1074909746 /nfs/dbraw/zinc/90/97/46/1074909746.db2.gz KBSDDKFSJDYIBI-YJNKXOJESA-N 1 2 379.461 -1.033 20 0 GAADLO NC(=O)NCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709659 1074909899 /nfs/dbraw/zinc/90/98/99/1074909899.db2.gz YAVYQVVFKQBHCE-HLUFSKSISA-N 1 2 391.472 -1.177 20 0 GAADLO NC(=O)NCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709660 1074909887 /nfs/dbraw/zinc/90/98/87/1074909887.db2.gz YAVYQVVFKQBHCE-UZVBGSJOSA-N 1 2 391.472 -1.177 20 0 GAADLO NC(=O)NCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001065715189 1074909785 /nfs/dbraw/zinc/90/97/85/1074909785.db2.gz FGKMPKMFUDQSJH-TUVASFSCSA-N 1 2 379.461 -1.033 20 0 GAADLO NC(=O)NCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001065715190 1074909910 /nfs/dbraw/zinc/90/99/10/1074909910.db2.gz FGKMPKMFUDQSJH-YJNKXOJESA-N 1 2 379.461 -1.033 20 0 GAADLO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930477 1073520918 /nfs/dbraw/zinc/52/09/18/1073520918.db2.gz LDTSNKGTWWVWHN-LPWJVIDDSA-N 1 2 375.437 -1.016 20 0 GAADLO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930477 1073520907 /nfs/dbraw/zinc/52/09/07/1073520907.db2.gz LDTSNKGTWWVWHN-LPWJVIDDSA-N 1 2 375.437 -1.016 20 0 GAADLO Cn1nnnc1CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069949113 1073522034 /nfs/dbraw/zinc/52/20/34/1073522034.db2.gz CVUGNYHGJFYWHI-OXHZDVMGSA-N 1 2 383.420 -1.130 20 0 GAADLO Cn1nnnc1CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001069949113 1073522028 /nfs/dbraw/zinc/52/20/28/1073522028.db2.gz CVUGNYHGJFYWHI-OXHZDVMGSA-N 1 2 383.420 -1.130 20 0 GAADLO Cn1nnc(CN2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H](n3ccnn3)C2)n1 ZINC001069949123 1073521896 /nfs/dbraw/zinc/52/18/96/1073521896.db2.gz DUIVUXNWWRWNEZ-OXHZDVMGSA-N 1 2 383.420 -1.130 20 0 GAADLO Cn1nnc(CN2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H](n3ccnn3)C2)n1 ZINC001069949123 1073521885 /nfs/dbraw/zinc/52/18/85/1073521885.db2.gz DUIVUXNWWRWNEZ-OXHZDVMGSA-N 1 2 383.420 -1.130 20 0 GAADLO Cn1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](n3ccnn3)C2)cn1 ZINC001070025718 1073523316 /nfs/dbraw/zinc/52/33/16/1073523316.db2.gz GKYDZPAHQKBDIE-CBBWQLFWSA-N 1 2 388.432 -1.414 20 0 GAADLO Cn1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](n3ccnn3)C2)cn1 ZINC001070025718 1073523307 /nfs/dbraw/zinc/52/33/07/1073523307.db2.gz GKYDZPAHQKBDIE-CBBWQLFWSA-N 1 2 388.432 -1.414 20 0 GAADLO Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001070026002 1073524222 /nfs/dbraw/zinc/52/42/22/1073524222.db2.gz WKNNBQRTLFREJQ-CBBWQLFWSA-N 1 2 388.432 -1.414 20 0 GAADLO CN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070026608 1073523984 /nfs/dbraw/zinc/52/39/84/1073523984.db2.gz DBXJBUWKUGPCFB-RQJABVFESA-N 1 2 375.433 -1.638 20 0 GAADLO CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070026608 1073523970 /nfs/dbraw/zinc/52/39/70/1073523970.db2.gz DBXJBUWKUGPCFB-RQJABVFESA-N 1 2 375.433 -1.638 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1n1ccnn1 ZINC001070026807 1073524801 /nfs/dbraw/zinc/52/48/01/1073524801.db2.gz HUEYEVKEVJGDFL-RQJABVFESA-N 1 2 375.433 -1.637 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1n1ccnn1 ZINC001070026807 1073524787 /nfs/dbraw/zinc/52/47/87/1073524787.db2.gz HUEYEVKEVJGDFL-RQJABVFESA-N 1 2 375.433 -1.637 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070027616 1073525305 /nfs/dbraw/zinc/52/53/05/1073525305.db2.gz QCTKKIAKPRJTKI-BARDWOONSA-N 1 2 389.460 -1.247 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070027616 1073525294 /nfs/dbraw/zinc/52/52/94/1073525294.db2.gz QCTKKIAKPRJTKI-BARDWOONSA-N 1 2 389.460 -1.247 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)[C@@H](n3ccnn3)C2)C1 ZINC001070196411 1073531084 /nfs/dbraw/zinc/53/10/84/1073531084.db2.gz WMQAKIWPFTYBKQ-SYQHCUMBSA-N 1 2 387.448 -1.137 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)[C@@H](n3ccnn3)C2)C1 ZINC001070196883 1073531120 /nfs/dbraw/zinc/53/11/20/1073531120.db2.gz LDIJAPXZBBOVIG-NGFQHRJXSA-N 1 2 387.448 -1.137 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)[C@@H](n3ccnn3)C2)C1 ZINC001070197237 1073530970 /nfs/dbraw/zinc/53/09/70/1073530970.db2.gz VLLDLTHMNFLGSZ-SYQHCUMBSA-N 1 2 387.448 -1.137 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)[C@@H](n3ccnn3)C2)C1 ZINC001070197264 1073530803 /nfs/dbraw/zinc/53/08/03/1073530803.db2.gz XJFSZGYMBHJYMP-NGFQHRJXSA-N 1 2 387.448 -1.137 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001070211597 1073531718 /nfs/dbraw/zinc/53/17/18/1073531718.db2.gz QACZFFNVDBOOLT-ATGSNQNLSA-N 1 2 376.421 -1.248 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)[C@@H](n2ccnn2)C1 ZINC001070211669 1073531970 /nfs/dbraw/zinc/53/19/70/1073531970.db2.gz UPWAYXYSHLHYQS-XFMPKHEZSA-N 1 2 376.421 -1.248 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070211720 1073532013 /nfs/dbraw/zinc/53/20/13/1073532013.db2.gz XKLPCXJHQSRVIU-OPDFLTKYSA-N 1 2 392.420 -1.955 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)[C@@H](n2ccnn2)C1 ZINC001070211726 1073532041 /nfs/dbraw/zinc/53/20/41/1073532041.db2.gz XUGTYYXHOLKYIW-XFMPKHEZSA-N 1 2 376.421 -1.248 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070211741 1073531734 /nfs/dbraw/zinc/53/17/34/1073531734.db2.gz YRGQOBITHZFLAN-ATGSNQNLSA-N 1 2 376.421 -1.248 20 0 GAADLO Cn1nnc(CN[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2n2ccnn2)n1 ZINC001070212357 1073531770 /nfs/dbraw/zinc/53/17/70/1073531770.db2.gz GGKOFYGQZMTNFJ-OXHZDVMGSA-N 1 2 383.420 -1.130 20 0 GAADLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2n2ccnn2)[nH]1 ZINC001070273687 1073533457 /nfs/dbraw/zinc/53/34/57/1073533457.db2.gz BOXUKJQXBIOQPR-MROQNXINSA-N 1 2 389.420 -1.721 20 0 GAADLO Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2n2ccnn2)n1 ZINC001070273936 1073533587 /nfs/dbraw/zinc/53/35/87/1073533587.db2.gz LDTJKFATIJNTQS-CBBWQLFWSA-N 1 2 388.432 -1.414 20 0 GAADLO Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070274056 1073533477 /nfs/dbraw/zinc/53/34/77/1073533477.db2.gz PJGIRJSUSWESIV-ZOBORPQBSA-N 1 2 388.432 -1.414 20 0 GAADLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070274069 1073533395 /nfs/dbraw/zinc/53/33/95/1073533395.db2.gz PXWSDXIYSAUPJS-MROQNXINSA-N 1 2 389.420 -2.019 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)O1 ZINC001070274139 1073534120 /nfs/dbraw/zinc/53/41/20/1073534120.db2.gz UHZFVBSMOPVDOJ-ZOBORPQBSA-N 1 2 375.389 -1.159 20 0 GAADLO Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2n2ccnn2)nn1 ZINC001070274185 1073534159 /nfs/dbraw/zinc/53/41/59/1073534159.db2.gz WGYQWIWRAYFHQD-ZOBORPQBSA-N 1 2 389.420 -2.019 20 0 GAADLO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2n2ccnn2)n1 ZINC001070274194 1073534089 /nfs/dbraw/zinc/53/40/89/1073534089.db2.gz WMIJCODTUMUGFZ-ZOBORPQBSA-N 1 2 389.420 -2.019 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnns3)[C@@H](n3ccnn3)C2)O1 ZINC001070274229 1073533962 /nfs/dbraw/zinc/53/39/62/1073533962.db2.gz XWARRWQQFTWLJU-MROQNXINSA-N 1 2 392.445 -1.296 20 0 GAADLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001070274264 1073533926 /nfs/dbraw/zinc/53/39/26/1073533926.db2.gz ZJPPHMQIFTZBRX-MROQNXINSA-N 1 2 389.420 -2.019 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)[C@@H](n2ccnn2)C1 ZINC001070275269 1073534205 /nfs/dbraw/zinc/53/42/05/1073534205.db2.gz DDXONMDZQMROAU-RQJABVFESA-N 1 2 387.448 -1.327 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070275287 1073534012 /nfs/dbraw/zinc/53/40/12/1073534012.db2.gz DQYHYIDRJXAQAM-XQHKEYJVSA-N 1 2 385.432 -1.063 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070275302 1073534189 /nfs/dbraw/zinc/53/41/89/1073534189.db2.gz FFMTWOLUFNRSSZ-BARDWOONSA-N 1 2 387.448 -1.327 20 0 GAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)nc1=O ZINC001070275325 1073534640 /nfs/dbraw/zinc/53/46/40/1073534640.db2.gz GPJXOURGPOHSPB-YTWAJWBKSA-N 1 2 375.393 -2.637 20 0 GAADLO CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001070275341 1073534932 /nfs/dbraw/zinc/53/49/32/1073534932.db2.gz HLJSOQCGMBHSHY-RQJABVFESA-N 1 2 387.448 -1.139 20 0 GAADLO CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 ZINC001070275377 1073535019 /nfs/dbraw/zinc/53/50/19/1073535019.db2.gz JDPUDNIHAOVSEX-OSRDXIQISA-N 1 2 387.448 -1.139 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2CCF)[C@@H](n2ccnn2)C1 ZINC001070275519 1073534960 /nfs/dbraw/zinc/53/49/60/1073534960.db2.gz QBPYCBGWYGBQAD-XQHKEYJVSA-N 1 2 391.411 -1.498 20 0 GAADLO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)on1 ZINC001070275636 1073534987 /nfs/dbraw/zinc/53/49/87/1073534987.db2.gz XIXVDSJMYSKMKM-XQHKEYJVSA-N 1 2 375.389 -1.062 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)[C@@H](n2ccnn2)C1 ZINC001070275640 1073534840 /nfs/dbraw/zinc/53/48/40/1073534840.db2.gz XKYVMHHDZGBTSR-RQJABVFESA-N 1 2 387.448 -1.327 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001070275641 1073534684 /nfs/dbraw/zinc/53/46/84/1073534684.db2.gz XMNYJXFNJVZJQQ-BARDWOONSA-N 1 2 387.448 -1.327 20 0 GAADLO CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 ZINC001070275648 1073534715 /nfs/dbraw/zinc/53/47/15/1073534715.db2.gz XZYOPKKCTHMAOJ-RQJABVFESA-N 1 2 387.448 -1.057 20 0 GAADLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001070276399 1073535586 /nfs/dbraw/zinc/53/55/86/1073535586.db2.gz FDWSCXUTCVAMHC-RQJABVFESA-N 1 2 387.448 -1.150 20 0 GAADLO Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2n2ccnn2)nn1 ZINC001070276410 1073535653 /nfs/dbraw/zinc/53/56/53/1073535653.db2.gz FPEGAFCSZTWIHK-OSRDXIQISA-N 1 2 387.448 -1.150 20 0 GAADLO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1C ZINC001070276439 1073535445 /nfs/dbraw/zinc/53/54/45/1073535445.db2.gz GZIPVJKZUIXABX-XQHKEYJVSA-N 1 2 387.448 -1.368 20 0 GAADLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@H]2n2ccnn2)[nH]1 ZINC001070276675 1073535333 /nfs/dbraw/zinc/53/53/33/1073535333.db2.gz URRDDYLXWZARFJ-RQJABVFESA-N 1 2 387.448 -1.029 20 0 GAADLO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2n2ccnn2)n1 ZINC001070276731 1073535541 /nfs/dbraw/zinc/53/55/41/1073535541.db2.gz XOLNVEOUQKNQLW-OSRDXIQISA-N 1 2 387.448 -1.150 20 0 GAADLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 ZINC001070276742 1073535407 /nfs/dbraw/zinc/53/54/07/1073535407.db2.gz YACDXOZKFUAIEU-RQJABVFESA-N 1 2 387.448 -1.150 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070277116 1073535299 /nfs/dbraw/zinc/53/52/99/1073535299.db2.gz GJRPGXXYDQDDBU-NMKXLXIOSA-N 1 2 376.421 -1.333 20 0 GAADLO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](n3ccnn3)C2)O1 ZINC001070279131 1073536176 /nfs/dbraw/zinc/53/61/76/1073536176.db2.gz LCQRMIXPESEGHU-FVCCEPFGSA-N 1 2 376.421 -1.191 20 0 GAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2n2ccnn2)nc1=O ZINC001070280080 1073536233 /nfs/dbraw/zinc/53/62/33/1073536233.db2.gz FJFAOKZOIPGEEQ-POQQGIQPSA-N 1 2 388.432 -1.191 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2cnon2)n[nH]1 ZINC001070356247 1073536155 /nfs/dbraw/zinc/53/61/55/1073536155.db2.gz WNDSUPDVXOWUHR-USZNOCQGSA-N 1 2 390.404 -1.412 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2cnon2)[nH]1 ZINC001070356247 1073536139 /nfs/dbraw/zinc/53/61/39/1073536139.db2.gz WNDSUPDVXOWUHR-USZNOCQGSA-N 1 2 390.404 -1.412 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001070495643 1073535994 /nfs/dbraw/zinc/53/59/94/1073535994.db2.gz JWDCSXZGMLNTBS-LFPKGMGHSA-N 1 2 387.444 -1.037 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2[NH2+]Cc2cnon2)c1 ZINC001070533671 1073536812 /nfs/dbraw/zinc/53/68/12/1073536812.db2.gz KOMYIUFSZTUEEW-PMOUVXMZSA-N 1 2 389.416 -1.080 20 0 GAADLO Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001070535756 1073536951 /nfs/dbraw/zinc/53/69/51/1073536951.db2.gz JZZHPULWBMXVGR-MPPDQPJWSA-N 1 2 388.432 -1.953 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]Cc3cnon3)O2)n[nH]1 ZINC001070575524 1073537275 /nfs/dbraw/zinc/53/72/75/1073537275.db2.gz ABJWYVJRJMJXLQ-WHOHXGKFSA-N 1 2 390.404 -1.065 20 0 GAADLO Cn1cncc1[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001070650298 1073537619 /nfs/dbraw/zinc/53/76/19/1073537619.db2.gz TYYCIYPLFAEGCE-OFEPTWOUSA-N 1 2 387.444 -1.037 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCc2nnn(C)n2)C1 ZINC001070657985 1073537820 /nfs/dbraw/zinc/53/78/20/1073537820.db2.gz WQFSOVYYZWCXIO-VLXAULBPSA-N 1 2 390.448 -1.168 20 0 GAADLO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1[NH2+]Cc1cnon1 ZINC001070689735 1073537722 /nfs/dbraw/zinc/53/77/22/1073537722.db2.gz MMSCORZPVFLKBB-RJZRQDKASA-N 1 2 389.416 -1.080 20 0 GAADLO Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001070690621 1073537747 /nfs/dbraw/zinc/53/77/47/1073537747.db2.gz BTGWJBAIHAFBFZ-WRWGMCAJSA-N 1 2 388.432 -1.953 20 0 GAADLO Cn1nnc(C[NH2+][C@@H]2CCO[C@H]2C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001071086288 1073538615 /nfs/dbraw/zinc/53/86/15/1073538615.db2.gz ZAZJFPKCRMQJEB-COMQUAJESA-N 1 2 377.449 -1.183 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001075902637 1074289912 /nfs/dbraw/zinc/28/99/12/1074289912.db2.gz DGIDMQXXSOCFDE-ZJOBFFGXSA-N 1 2 380.445 -1.719 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001075902637 1074289908 /nfs/dbraw/zinc/28/99/08/1074289908.db2.gz DGIDMQXXSOCFDE-ZJOBFFGXSA-N 1 2 380.445 -1.719 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CCN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)nc1=O ZINC001076059968 1074419212 /nfs/dbraw/zinc/41/92/12/1074419212.db2.gz WUSIQBCOIOMLTA-DGAVXFQQSA-N 1 2 392.460 -1.046 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)nc1=O ZINC001076059968 1074419203 /nfs/dbraw/zinc/41/92/03/1074419203.db2.gz WUSIQBCOIOMLTA-DGAVXFQQSA-N 1 2 392.460 -1.046 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)O1 ZINC001076236829 1074421592 /nfs/dbraw/zinc/42/15/92/1074421592.db2.gz DFFRTJVYAFTAJY-RFQIPJPRSA-N 1 2 393.444 -2.490 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)O1 ZINC001076236829 1074421584 /nfs/dbraw/zinc/42/15/84/1074421584.db2.gz DFFRTJVYAFTAJY-RFQIPJPRSA-N 1 2 393.444 -2.490 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)C[C@H]32)O1 ZINC001076238146 1074421790 /nfs/dbraw/zinc/42/17/90/1074421790.db2.gz TVMPTOYOPQECMK-RFQIPJPRSA-N 1 2 392.460 -1.223 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)C[C@H]32)O1 ZINC001076238146 1074421786 /nfs/dbraw/zinc/42/17/86/1074421786.db2.gz TVMPTOYOPQECMK-RFQIPJPRSA-N 1 2 392.460 -1.223 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)C1 ZINC001077014165 1074439761 /nfs/dbraw/zinc/43/97/61/1074439761.db2.gz GROCAZQYJJEABB-FMKGYKFTSA-N 1 2 388.428 -1.401 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)C1 ZINC001077014165 1074439755 /nfs/dbraw/zinc/43/97/55/1074439755.db2.gz GROCAZQYJJEABB-FMKGYKFTSA-N 1 2 388.428 -1.401 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001077014286 1074439689 /nfs/dbraw/zinc/43/96/89/1074439689.db2.gz NTHCYDDDZUPIPN-NMFUWQPSSA-N 1 2 387.502 -1.113 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001077014286 1074439683 /nfs/dbraw/zinc/43/96/83/1074439683.db2.gz NTHCYDDDZUPIPN-NMFUWQPSSA-N 1 2 387.502 -1.113 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001077014325 1074439797 /nfs/dbraw/zinc/43/97/97/1074439797.db2.gz PUAZVEJMZFIMAM-AAVRWANBSA-N 1 2 388.490 -1.902 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001077014325 1074439790 /nfs/dbraw/zinc/43/97/90/1074439790.db2.gz PUAZVEJMZFIMAM-AAVRWANBSA-N 1 2 388.490 -1.902 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)C1 ZINC001077014342 1074439779 /nfs/dbraw/zinc/43/97/79/1074439779.db2.gz RDNRPWMNZPJGRO-FMKGYKFTSA-N 1 2 393.444 -2.340 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)C1 ZINC001077014342 1074439777 /nfs/dbraw/zinc/43/97/77/1074439777.db2.gz RDNRPWMNZPJGRO-FMKGYKFTSA-N 1 2 393.444 -2.340 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001077031624 1074441218 /nfs/dbraw/zinc/44/12/18/1074441218.db2.gz UOXOHUZYTPZWBX-LWGWVAHUSA-N 1 2 380.445 -2.092 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001077031624 1074441214 /nfs/dbraw/zinc/44/12/14/1074441214.db2.gz UOXOHUZYTPZWBX-LWGWVAHUSA-N 1 2 380.445 -2.092 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001077031871 1074441101 /nfs/dbraw/zinc/44/11/01/1074441101.db2.gz IIFROACSHIINRX-BORJPKMPSA-N 1 2 380.445 -2.125 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001077031871 1074441098 /nfs/dbraw/zinc/44/10/98/1074441098.db2.gz IIFROACSHIINRX-BORJPKMPSA-N 1 2 380.445 -2.125 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001077160250 1074441658 /nfs/dbraw/zinc/44/16/58/1074441658.db2.gz RRNFVFQZZZPXGS-JLNYLFASSA-N 1 2 382.465 -1.064 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1O ZINC001077160250 1074441652 /nfs/dbraw/zinc/44/16/52/1074441652.db2.gz RRNFVFQZZZPXGS-JLNYLFASSA-N 1 2 382.465 -1.064 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077161222 1074441751 /nfs/dbraw/zinc/44/17/51/1074441751.db2.gz OKPFSVFSAFWVDZ-ZGFBFQLVSA-N 1 2 382.417 -2.451 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077161222 1074441746 /nfs/dbraw/zinc/44/17/46/1074441746.db2.gz OKPFSVFSAFWVDZ-ZGFBFQLVSA-N 1 2 382.417 -2.451 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001077162054 1074442332 /nfs/dbraw/zinc/44/23/32/1074442332.db2.gz AKUVUXUQZRVDKB-XQCUEUFKSA-N 1 2 377.401 -1.512 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001077162054 1074442327 /nfs/dbraw/zinc/44/23/27/1074442327.db2.gz AKUVUXUQZRVDKB-XQCUEUFKSA-N 1 2 377.401 -1.512 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077162235 1074442472 /nfs/dbraw/zinc/44/24/72/1074442472.db2.gz KKXQCNKNZBDLAP-MYPMTAMASA-N 1 2 376.475 -1.224 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077162235 1074442467 /nfs/dbraw/zinc/44/24/67/1074442467.db2.gz KKXQCNKNZBDLAP-MYPMTAMASA-N 1 2 376.475 -1.224 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077162311 1074442528 /nfs/dbraw/zinc/44/25/28/1074442528.db2.gz OYXIICPBOHGUTR-DGAVXFQQSA-N 1 2 377.463 -2.013 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077162311 1074442520 /nfs/dbraw/zinc/44/25/20/1074442520.db2.gz OYXIICPBOHGUTR-DGAVXFQQSA-N 1 2 377.463 -2.013 20 0 GAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077167740 1074442289 /nfs/dbraw/zinc/44/22/89/1074442289.db2.gz ARWLNKUUOYTHQQ-MEWXFMAXSA-N 1 2 380.445 -1.440 20 0 GAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077167740 1074442283 /nfs/dbraw/zinc/44/22/83/1074442283.db2.gz ARWLNKUUOYTHQQ-MEWXFMAXSA-N 1 2 380.445 -1.440 20 0 GAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077167916 1074442447 /nfs/dbraw/zinc/44/24/47/1074442447.db2.gz KVYQNVCHPQXQBE-TUVASFSCSA-N 1 2 375.491 -1.002 20 0 GAADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077167916 1074442442 /nfs/dbraw/zinc/44/24/42/1074442442.db2.gz KVYQNVCHPQXQBE-TUVASFSCSA-N 1 2 375.491 -1.002 20 0 GAADLO CNC(=O)Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001077170824 1074443249 /nfs/dbraw/zinc/44/32/49/1074443249.db2.gz UUURXYZYALSYJV-FPQZTECRSA-N 1 2 389.416 -1.454 20 0 GAADLO CNC(=O)Cc1noc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001077170824 1074443244 /nfs/dbraw/zinc/44/32/44/1074443244.db2.gz UUURXYZYALSYJV-FPQZTECRSA-N 1 2 389.416 -1.454 20 0 GAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)n(C)c1=O ZINC001077371559 1074446500 /nfs/dbraw/zinc/44/65/00/1074446500.db2.gz VJQMKPRWSGSORU-GPINWOSQSA-N 1 2 392.456 -1.296 20 0 GAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)n(C)c1=O ZINC001077371559 1074446497 /nfs/dbraw/zinc/44/64/97/1074446497.db2.gz VJQMKPRWSGSORU-GPINWOSQSA-N 1 2 392.456 -1.296 20 0 GAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001077411056 1074447184 /nfs/dbraw/zinc/44/71/84/1074447184.db2.gz OYJWGCYQMNKOSD-AALSBFMBSA-N 1 2 387.502 -1.002 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001077411056 1074447180 /nfs/dbraw/zinc/44/71/80/1074447180.db2.gz OYJWGCYQMNKOSD-AALSBFMBSA-N 1 2 387.502 -1.002 20 0 GAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n(C)c1=O ZINC001077412112 1074447336 /nfs/dbraw/zinc/44/73/36/1074447336.db2.gz LTOYHQHSVZCGDX-LAWJPMAJSA-N 1 2 392.456 -1.440 20 0 GAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)n(C)c1=O ZINC001077412112 1074447332 /nfs/dbraw/zinc/44/73/32/1074447332.db2.gz LTOYHQHSVZCGDX-LAWJPMAJSA-N 1 2 392.456 -1.440 20 0 GAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001077413358 1074447311 /nfs/dbraw/zinc/44/73/11/1074447311.db2.gz SVJYFHSGAMYTSU-ZAJFYCSQSA-N 1 2 385.486 -1.393 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001077413358 1074447306 /nfs/dbraw/zinc/44/73/06/1074447306.db2.gz SVJYFHSGAMYTSU-ZAJFYCSQSA-N 1 2 385.486 -1.393 20 0 GAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)c1=O ZINC001077417418 1074447245 /nfs/dbraw/zinc/44/72/45/1074447245.db2.gz LSIHHKGNKGLHKQ-MRIZRFMCSA-N 1 2 390.440 -1.831 20 0 GAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)c1=O ZINC001077417418 1074447240 /nfs/dbraw/zinc/44/72/40/1074447240.db2.gz LSIHHKGNKGLHKQ-MRIZRFMCSA-N 1 2 390.440 -1.831 20 0 GAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1CCO[C@H]1C1CC1 ZINC001077421496 1074447964 /nfs/dbraw/zinc/44/79/64/1074447964.db2.gz AQYBYKCSHLHFDM-FPCVCCKLSA-N 1 2 387.502 -1.002 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1CCO[C@H]1C1CC1 ZINC001077421496 1074447961 /nfs/dbraw/zinc/44/79/61/1074447961.db2.gz AQYBYKCSHLHFDM-FPCVCCKLSA-N 1 2 387.502 -1.002 20 0 GAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077421747 1074447900 /nfs/dbraw/zinc/44/79/00/1074447900.db2.gz PHABQKHPOSBLJR-TUVASFSCSA-N 1 2 375.491 -1.002 20 0 GAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077421747 1074447893 /nfs/dbraw/zinc/44/78/93/1074447893.db2.gz PHABQKHPOSBLJR-TUVASFSCSA-N 1 2 375.491 -1.002 20 0 GAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)n(C)c1=O ZINC001077422774 1074447355 /nfs/dbraw/zinc/44/73/55/1074447355.db2.gz RALKUHZLYLZSET-ANQUJSFKSA-N 1 2 392.456 -1.440 20 0 GAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)n(C)c1=O ZINC001077422774 1074447353 /nfs/dbraw/zinc/44/73/53/1074447353.db2.gz RALKUHZLYLZSET-ANQUJSFKSA-N 1 2 392.456 -1.440 20 0 GAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077422852 1074447373 /nfs/dbraw/zinc/44/73/73/1074447373.db2.gz WGKBVTPOTATGQM-TUVASFSCSA-N 1 2 380.445 -1.440 20 0 GAADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077422852 1074447370 /nfs/dbraw/zinc/44/73/70/1074447370.db2.gz WGKBVTPOTATGQM-TUVASFSCSA-N 1 2 380.445 -1.440 20 0 GAADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001077429477 1074469240 /nfs/dbraw/zinc/46/92/40/1074469240.db2.gz UNHLYKPYSDHKDL-IXYNUQLISA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001077429477 1074469239 /nfs/dbraw/zinc/46/92/39/1074469239.db2.gz UNHLYKPYSDHKDL-IXYNUQLISA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1nccc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430229 1074469772 /nfs/dbraw/zinc/46/97/72/1074469772.db2.gz CWXBXXKLKPKEGM-TVFCKZIOSA-N 1 2 393.488 -1.039 20 0 GAADLO Cn1ccnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430257 1074469653 /nfs/dbraw/zinc/46/96/53/1074469653.db2.gz FIPGCIUBSMSENR-VQHPVUNQSA-N 1 2 393.488 -1.039 20 0 GAADLO Cn1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)n1 ZINC001077430375 1074470143 /nfs/dbraw/zinc/47/01/43/1074470143.db2.gz JSAIHGOLJPDAIN-TVFCKZIOSA-N 1 2 393.488 -1.039 20 0 GAADLO CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430384 1074470151 /nfs/dbraw/zinc/47/01/51/1074470151.db2.gz JXLMWUCHQWZAAX-FPCVCCKLSA-N 1 2 384.477 -1.884 20 0 GAADLO O=C(N[C@@H]1CN(Cc2cnon2)C[C@H]1O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001077430585 1074470226 /nfs/dbraw/zinc/47/02/26/1074470226.db2.gz RBKHAKRMCNMTQD-FPCVCCKLSA-N 1 2 381.433 -1.389 20 0 GAADLO Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C2)cn1 ZINC001077430737 1074470276 /nfs/dbraw/zinc/47/02/76/1074470276.db2.gz XHSITNAWYRRWHC-TVFCKZIOSA-N 1 2 393.488 -1.039 20 0 GAADLO Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C2)cn1 ZINC001077430737 1074470271 /nfs/dbraw/zinc/47/02/71/1074470271.db2.gz XHSITNAWYRRWHC-TVFCKZIOSA-N 1 2 393.488 -1.039 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)O1 ZINC001077668567 1074746891 /nfs/dbraw/zinc/74/68/91/1074746891.db2.gz FRQFQRFNLPKESZ-FVCCEPFGSA-N 1 2 390.400 -2.283 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)O1 ZINC001077668567 1074746885 /nfs/dbraw/zinc/74/68/85/1074746885.db2.gz FRQFQRFNLPKESZ-FVCCEPFGSA-N 1 2 390.400 -2.283 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)O1 ZINC001077668586 1074747181 /nfs/dbraw/zinc/74/71/81/1074747181.db2.gz GOQVJQCVXNAMSR-YIYPIFLZSA-N 1 2 389.474 -1.995 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)O1 ZINC001077668586 1074747173 /nfs/dbraw/zinc/74/71/73/1074747173.db2.gz GOQVJQCVXNAMSR-YIYPIFLZSA-N 1 2 389.474 -1.995 20 0 GAADLO NC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001077668624 1074747325 /nfs/dbraw/zinc/74/73/25/1074747325.db2.gz IJOUICANZURITA-APIJFGDWSA-N 1 2 376.413 -1.520 20 0 GAADLO NC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001077668624 1074747317 /nfs/dbraw/zinc/74/73/17/1074747317.db2.gz IJOUICANZURITA-APIJFGDWSA-N 1 2 376.413 -1.520 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)O1 ZINC001077668693 1074747236 /nfs/dbraw/zinc/74/72/36/1074747236.db2.gz MIVGMJHXHVLEKC-FVCCEPFGSA-N 1 2 390.462 -2.784 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)O1 ZINC001077668693 1074747230 /nfs/dbraw/zinc/74/72/30/1074747230.db2.gz MIVGMJHXHVLEKC-FVCCEPFGSA-N 1 2 390.462 -2.784 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]2O)O1 ZINC001077668768 1074747205 /nfs/dbraw/zinc/74/72/05/1074747205.db2.gz QJDGKLIPDAPPQJ-APIJFGDWSA-N 1 2 382.461 -1.417 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@H]2O)O1 ZINC001077668768 1074747202 /nfs/dbraw/zinc/74/72/02/1074747202.db2.gz QJDGKLIPDAPPQJ-APIJFGDWSA-N 1 2 382.461 -1.417 20 0 GAADLO CNC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001077668781 1074747418 /nfs/dbraw/zinc/74/74/18/1074747418.db2.gz QSVPHXGEBYAZGJ-LVQVYYBASA-N 1 2 390.440 -1.260 20 0 GAADLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001077668781 1074747412 /nfs/dbraw/zinc/74/74/12/1074747412.db2.gz QSVPHXGEBYAZGJ-LVQVYYBASA-N 1 2 390.440 -1.260 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]2O)O1 ZINC001077668883 1074747780 /nfs/dbraw/zinc/74/77/80/1074747780.db2.gz XTCOZUDMLHGHMB-YIYPIFLZSA-N 1 2 391.428 -1.246 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]2O)O1 ZINC001077668883 1074747774 /nfs/dbraw/zinc/74/77/74/1074747774.db2.gz XTCOZUDMLHGHMB-YIYPIFLZSA-N 1 2 391.428 -1.246 20 0 GAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077668902 1074747758 /nfs/dbraw/zinc/74/77/58/1074747758.db2.gz YTDADEOGZVNUCN-FVCCEPFGSA-N 1 2 384.458 -1.588 20 0 GAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077668902 1074747752 /nfs/dbraw/zinc/74/77/52/1074747752.db2.gz YTDADEOGZVNUCN-FVCCEPFGSA-N 1 2 384.458 -1.588 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)O1 ZINC001077669618 1074747626 /nfs/dbraw/zinc/74/76/26/1074747626.db2.gz CAMLFWUXIAWBCZ-TUVASFSCSA-N 1 2 382.461 -1.594 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)O1 ZINC001077669618 1074747615 /nfs/dbraw/zinc/74/76/15/1074747615.db2.gz CAMLFWUXIAWBCZ-TUVASFSCSA-N 1 2 382.461 -1.594 20 0 GAADLO CC1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001077669742 1074746194 /nfs/dbraw/zinc/74/61/94/1074746194.db2.gz KEOAEKHEBMANSU-APIJFGDWSA-N 1 2 382.461 -1.561 20 0 GAADLO CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001077669742 1074746186 /nfs/dbraw/zinc/74/61/86/1074746186.db2.gz KEOAEKHEBMANSU-APIJFGDWSA-N 1 2 382.461 -1.561 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)O1 ZINC001077669951 1074746602 /nfs/dbraw/zinc/74/66/02/1074746602.db2.gz XCXOKNVFRFHZLZ-TUVASFSCSA-N 1 2 382.461 -1.596 20 0 GAADLO CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)O1 ZINC001077669951 1074746594 /nfs/dbraw/zinc/74/65/94/1074746594.db2.gz XCXOKNVFRFHZLZ-TUVASFSCSA-N 1 2 382.461 -1.596 20 0 GAADLO CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)ccn1 ZINC001077669953 1074746563 /nfs/dbraw/zinc/74/65/63/1074746563.db2.gz XEEJOAHSYYMVGF-APIJFGDWSA-N 1 2 377.445 -1.158 20 0 GAADLO CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)ccn1 ZINC001077669953 1074746558 /nfs/dbraw/zinc/74/65/58/1074746558.db2.gz XEEJOAHSYYMVGF-APIJFGDWSA-N 1 2 377.445 -1.158 20 0 GAADLO Cc1cc(=O)n2nc(C[N@H+]3C[C@@H](O)[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)C3)sc2n1 ZINC001077681479 1074748162 /nfs/dbraw/zinc/74/81/62/1074748162.db2.gz BZLGXHSMJSZOKP-LMLFDSFASA-N 1 2 392.441 -1.758 20 0 GAADLO Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H](O)[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)C3)sc2n1 ZINC001077681479 1074748156 /nfs/dbraw/zinc/74/81/56/1074748156.db2.gz BZLGXHSMJSZOKP-LMLFDSFASA-N 1 2 392.441 -1.758 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001077681796 1074747913 /nfs/dbraw/zinc/74/79/13/1074747913.db2.gz PTMQXDLLGIEARW-XJFOESAGSA-N 1 2 381.433 -3.040 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001077681796 1074747905 /nfs/dbraw/zinc/74/79/05/1074747905.db2.gz PTMQXDLLGIEARW-XJFOESAGSA-N 1 2 381.433 -3.040 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077682732 1074747939 /nfs/dbraw/zinc/74/79/39/1074747939.db2.gz HRLJBGASWMRXGJ-REWJHTLYSA-N 1 2 388.490 -2.093 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC001077682732 1074747933 /nfs/dbraw/zinc/74/79/33/1074747933.db2.gz HRLJBGASWMRXGJ-REWJHTLYSA-N 1 2 388.490 -2.093 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001077682776 1074748110 /nfs/dbraw/zinc/74/81/10/1074748110.db2.gz JTUUEKDTLZSVLB-REWJHTLYSA-N 1 2 388.428 -1.592 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O ZINC001077682776 1074748103 /nfs/dbraw/zinc/74/81/03/1074748103.db2.gz JTUUEKDTLZSVLB-REWJHTLYSA-N 1 2 388.428 -1.592 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1O ZINC001077682853 1074748078 /nfs/dbraw/zinc/74/80/78/1074748078.db2.gz OCLDZVZGUVYTKY-YYIAUSFCSA-N 1 2 386.452 -1.146 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1O ZINC001077682853 1074748070 /nfs/dbraw/zinc/74/80/70/1074748070.db2.gz OCLDZVZGUVYTKY-YYIAUSFCSA-N 1 2 386.452 -1.146 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077682855 1074748137 /nfs/dbraw/zinc/74/81/37/1074748137.db2.gz OHATWQZVODQEPJ-GBJTYRQASA-N 1 2 387.502 -1.303 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1O ZINC001077682855 1074748131 /nfs/dbraw/zinc/74/81/31/1074748131.db2.gz OHATWQZVODQEPJ-GBJTYRQASA-N 1 2 387.502 -1.303 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)C[C@H]1O ZINC001077686241 1074748506 /nfs/dbraw/zinc/74/85/06/1074748506.db2.gz CSIQFJXDDBLBOY-OCVGTWLNSA-N 1 2 385.424 -1.321 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cnc3ccccc3c2=O)C[C@H]1O ZINC001077686241 1074748501 /nfs/dbraw/zinc/74/85/01/1074748501.db2.gz CSIQFJXDDBLBOY-OCVGTWLNSA-N 1 2 385.424 -1.321 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC001077686257 1074748361 /nfs/dbraw/zinc/74/83/61/1074748361.db2.gz DVVMVSMGWUJWOC-LXTVHRRPSA-N 1 2 386.408 -1.435 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC001077686257 1074748351 /nfs/dbraw/zinc/74/83/51/1074748351.db2.gz DVVMVSMGWUJWOC-LXTVHRRPSA-N 1 2 386.408 -1.435 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1O ZINC001077686387 1074748391 /nfs/dbraw/zinc/74/83/91/1074748391.db2.gz LVWBHKKQXWLRPQ-YVECIDJPSA-N 1 2 381.433 -3.007 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1O ZINC001077686387 1074748382 /nfs/dbraw/zinc/74/83/82/1074748382.db2.gz LVWBHKKQXWLRPQ-YVECIDJPSA-N 1 2 381.433 -3.007 20 0 GAADLO Cc1csc2nc(C[N@H+]3C[C@@H](O)[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)C3)cc(=O)n12 ZINC001077686480 1074748756 /nfs/dbraw/zinc/74/87/56/1074748756.db2.gz RBCBLXNILADHGS-YVECIDJPSA-N 1 2 391.453 -1.153 20 0 GAADLO Cc1csc2nc(C[N@@H+]3C[C@@H](O)[C@H](NC(=O)[C@H]4C[C@H]4C(N)=O)C3)cc(=O)n12 ZINC001077686480 1074748745 /nfs/dbraw/zinc/74/87/45/1074748745.db2.gz RBCBLXNILADHGS-YVECIDJPSA-N 1 2 391.453 -1.153 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077688263 1074748991 /nfs/dbraw/zinc/74/89/91/1074748991.db2.gz CVADGAYVUDAAFZ-REWJHTLYSA-N 1 2 393.444 -2.530 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O ZINC001077688263 1074748982 /nfs/dbraw/zinc/74/89/82/1074748982.db2.gz CVADGAYVUDAAFZ-REWJHTLYSA-N 1 2 393.444 -2.530 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001077688279 1074749229 /nfs/dbraw/zinc/74/92/29/1074749229.db2.gz DUMSFHXETKEQAI-LXTVHRRPSA-N 1 2 387.502 -1.126 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2O)C1 ZINC001077688279 1074749220 /nfs/dbraw/zinc/74/92/20/1074749220.db2.gz DUMSFHXETKEQAI-LXTVHRRPSA-N 1 2 387.502 -1.126 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)C1 ZINC001077688328 1074749192 /nfs/dbraw/zinc/74/91/92/1074749192.db2.gz HFEIUHUUHJOAPK-ZMJPVWNMSA-N 1 2 388.428 -1.415 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2O)C1 ZINC001077688328 1074749184 /nfs/dbraw/zinc/74/91/84/1074749184.db2.gz HFEIUHUUHJOAPK-ZMJPVWNMSA-N 1 2 388.428 -1.415 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001077688615 1074749209 /nfs/dbraw/zinc/74/92/09/1074749209.db2.gz XIRSADNEQGCCIP-XJFOESAGSA-N 1 2 388.490 -1.915 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)C1 ZINC001077688615 1074749203 /nfs/dbraw/zinc/74/92/03/1074749203.db2.gz XIRSADNEQGCCIP-XJFOESAGSA-N 1 2 388.490 -1.915 20 0 GAADLO Cn1c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc(=O)n(C)c1=O ZINC001077689310 1074749562 /nfs/dbraw/zinc/74/95/62/1074749562.db2.gz DXUVRDMNWYZSAF-ZMJPVWNMSA-N 1 2 393.444 -2.353 20 0 GAADLO Cn1c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)cc(=O)n(C)c1=O ZINC001077689310 1074749553 /nfs/dbraw/zinc/74/95/53/1074749553.db2.gz DXUVRDMNWYZSAF-ZMJPVWNMSA-N 1 2 393.444 -2.353 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1O ZINC001077695798 1074749596 /nfs/dbraw/zinc/74/95/96/1074749596.db2.gz GIJMVHSUHGFTQO-MEWXFMAXSA-N 1 2 382.461 -1.703 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1O ZINC001077695798 1074749587 /nfs/dbraw/zinc/74/95/87/1074749587.db2.gz GIJMVHSUHGFTQO-MEWXFMAXSA-N 1 2 382.461 -1.703 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC001077697166 1074749415 /nfs/dbraw/zinc/74/94/15/1074749415.db2.gz YXDFKWPXAKUSCX-MMTVNHQJSA-N 1 2 382.461 -1.737 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC001077697166 1074749410 /nfs/dbraw/zinc/74/94/10/1074749410.db2.gz YXDFKWPXAKUSCX-MMTVNHQJSA-N 1 2 382.461 -1.737 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1O ZINC001077698033 1074749981 /nfs/dbraw/zinc/74/99/81/1074749981.db2.gz NSVNNWOACOMQED-RGCMKSIDSA-N 1 2 390.444 -2.357 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1O ZINC001077698043 1074750033 /nfs/dbraw/zinc/75/00/33/1074750033.db2.gz OFFLPXHBVQXVCC-IXYNUQLISA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1O ZINC001077698053 1074750009 /nfs/dbraw/zinc/75/00/09/1074750009.db2.gz OXSMENQGWIKVNM-KCYZZUKISA-N 1 2 391.472 -1.020 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC001077705283 1074750693 /nfs/dbraw/zinc/75/06/93/1074750693.db2.gz ICIALMWZEKTIJG-DTZQCDIJSA-N 1 2 382.461 -1.594 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC001077705283 1074750682 /nfs/dbraw/zinc/75/06/82/1074750682.db2.gz ICIALMWZEKTIJG-DTZQCDIJSA-N 1 2 382.461 -1.594 20 0 GAADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@H]2O)O1 ZINC001077705457 1074750564 /nfs/dbraw/zinc/75/05/64/1074750564.db2.gz RDVZRPGWHOFCAR-NMFUWQPSSA-N 1 2 382.461 -1.561 20 0 GAADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@H]2O)O1 ZINC001077705457 1074750557 /nfs/dbraw/zinc/75/05/57/1074750557.db2.gz RDVZRPGWHOFCAR-NMFUWQPSSA-N 1 2 382.461 -1.561 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001077707564 1074750660 /nfs/dbraw/zinc/75/06/60/1074750660.db2.gz PLCFYWFWONWGGZ-QCODTGAPSA-N 1 2 394.472 -1.561 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001077707564 1074750650 /nfs/dbraw/zinc/75/06/50/1074750650.db2.gz PLCFYWFWONWGGZ-QCODTGAPSA-N 1 2 394.472 -1.561 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001077707649 1074750742 /nfs/dbraw/zinc/75/07/42/1074750742.db2.gz UGVLWLMNBSPLKT-HHARLNAUSA-N 1 2 394.472 -1.594 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001077707649 1074750735 /nfs/dbraw/zinc/75/07/35/1074750735.db2.gz UGVLWLMNBSPLKT-HHARLNAUSA-N 1 2 394.472 -1.594 20 0 GAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n(C)c1=O ZINC001077708791 1074750835 /nfs/dbraw/zinc/75/08/35/1074750835.db2.gz YZKKPEWDCPOLPY-RYPNDVFKSA-N 1 2 378.429 -1.687 20 0 GAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n(C)c1=O ZINC001077708791 1074750826 /nfs/dbraw/zinc/75/08/26/1074750826.db2.gz YZKKPEWDCPOLPY-RYPNDVFKSA-N 1 2 378.429 -1.687 20 0 GAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2O)cn1 ZINC001077708836 1074750805 /nfs/dbraw/zinc/75/08/05/1074750805.db2.gz BKGKKWYNCNTGCG-ZJIFWQFVSA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2O)cn1 ZINC001077708836 1074750797 /nfs/dbraw/zinc/75/07/97/1074750797.db2.gz BKGKKWYNCNTGCG-ZJIFWQFVSA-N 1 2 377.445 -1.456 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001077815022 1074766905 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/nfs/dbraw/zinc/70/65/44/1074706544.db2.gz XTCOZUDMLHGHMB-ZOBORPQBSA-N 1 2 391.428 -1.246 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@@H]2O)O1 ZINC001083776051 1074706536 /nfs/dbraw/zinc/70/65/36/1074706536.db2.gz XTCOZUDMLHGHMB-ZOBORPQBSA-N 1 2 391.428 -1.246 20 0 GAADLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](O)C2)c1 ZINC001083776356 1074706775 /nfs/dbraw/zinc/70/67/75/1074706775.db2.gz QSVPHXGEBYAZGJ-FXUDXRNXSA-N 1 2 390.440 -1.260 20 0 GAADLO CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](O)C2)c1 ZINC001083776356 1074706765 /nfs/dbraw/zinc/70/67/65/1074706765.db2.gz QSVPHXGEBYAZGJ-FXUDXRNXSA-N 1 2 390.440 -1.260 20 0 GAADLO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776475 1074707361 /nfs/dbraw/zinc/70/73/61/1074707361.db2.gz YTDADEOGZVNUCN-MROQNXINSA-N 1 2 384.458 -1.588 20 0 GAADLO Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776475 1074707352 /nfs/dbraw/zinc/70/73/52/1074707352.db2.gz YTDADEOGZVNUCN-MROQNXINSA-N 1 2 384.458 -1.588 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@@H]1O ZINC001083783187 1074742356 /nfs/dbraw/zinc/74/23/56/1074742356.db2.gz DVVMVSMGWUJWOC-BARDWOONSA-N 1 2 386.408 -1.435 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@@H]1O ZINC001083783187 1074742350 /nfs/dbraw/zinc/74/23/50/1074742350.db2.gz DVVMVSMGWUJWOC-BARDWOONSA-N 1 2 386.408 -1.435 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001083783330 1074742285 /nfs/dbraw/zinc/74/22/85/1074742285.db2.gz LVWBHKKQXWLRPQ-XQHKEYJVSA-N 1 2 381.433 -3.007 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001083783330 1074742280 /nfs/dbraw/zinc/74/22/80/1074742280.db2.gz LVWBHKKQXWLRPQ-XQHKEYJVSA-N 1 2 381.433 -3.007 20 0 GAADLO Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)sc2n1 ZINC001083783629 1074743596 /nfs/dbraw/zinc/74/35/96/1074743596.db2.gz BZLGXHSMJSZOKP-YTWAJWBKSA-N 1 2 392.441 -1.758 20 0 GAADLO Cc1cc(=O)n2nc(C[N@H+]3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)sc2n1 ZINC001083783629 1074743588 /nfs/dbraw/zinc/74/35/88/1074743588.db2.gz BZLGXHSMJSZOKP-YTWAJWBKSA-N 1 2 392.441 -1.758 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@@H]1O ZINC001083783839 1074743392 /nfs/dbraw/zinc/74/33/92/1074743392.db2.gz OCLDZVZGUVYTKY-TWMKSMIVSA-N 1 2 386.452 -1.146 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@@H]1O ZINC001083783839 1074743387 /nfs/dbraw/zinc/74/33/87/1074743387.db2.gz OCLDZVZGUVYTKY-TWMKSMIVSA-N 1 2 386.452 -1.146 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)CC1 ZINC001083783873 1074743435 /nfs/dbraw/zinc/74/34/35/1074743435.db2.gz PTMQXDLLGIEARW-RQJABVFESA-N 1 2 381.433 -3.040 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)CC1 ZINC001083783873 1074743428 /nfs/dbraw/zinc/74/34/28/1074743428.db2.gz PTMQXDLLGIEARW-RQJABVFESA-N 1 2 381.433 -3.040 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)C[C@@H]1O ZINC001083784130 1074744448 /nfs/dbraw/zinc/74/44/48/1074744448.db2.gz CSIQFJXDDBLBOY-CLWVCHIJSA-N 1 2 385.424 -1.321 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cnc3ccccc3c2=O)C[C@@H]1O ZINC001083784130 1074744443 /nfs/dbraw/zinc/74/44/43/1074744443.db2.gz CSIQFJXDDBLBOY-CLWVCHIJSA-N 1 2 385.424 -1.321 20 0 GAADLO Cn1c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cc(=O)n(C)c1=O ZINC001083784150 1074744399 /nfs/dbraw/zinc/74/43/99/1074744399.db2.gz DXUVRDMNWYZSAF-WVWOOGAGSA-N 1 2 393.444 -2.353 20 0 GAADLO Cn1c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)cc(=O)n(C)c1=O ZINC001083784150 1074744393 /nfs/dbraw/zinc/74/43/93/1074744393.db2.gz DXUVRDMNWYZSAF-WVWOOGAGSA-N 1 2 393.444 -2.353 20 0 GAADLO Cc1csc2nc(C[N@@H+]3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)cc(=O)n12 ZINC001083784370 1074744867 /nfs/dbraw/zinc/74/48/67/1074744867.db2.gz RBCBLXNILADHGS-XQHKEYJVSA-N 1 2 391.453 -1.153 20 0 GAADLO Cc1csc2nc(C[N@H+]3C[C@@H](NC(=O)[C@H]4C[C@H]4C(N)=O)[C@@H](O)C3)cc(=O)n12 ZINC001083784370 1074744861 /nfs/dbraw/zinc/74/48/61/1074744861.db2.gz RBCBLXNILADHGS-XQHKEYJVSA-N 1 2 391.453 -1.153 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083784659 1074745438 /nfs/dbraw/zinc/74/54/38/1074745438.db2.gz HRLJBGASWMRXGJ-DGAVXFQQSA-N 1 2 388.490 -2.093 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@@H]1O ZINC001083784659 1074745429 /nfs/dbraw/zinc/74/54/29/1074745429.db2.gz HRLJBGASWMRXGJ-DGAVXFQQSA-N 1 2 388.490 -2.093 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@@H]1O ZINC001083784694 1074745514 /nfs/dbraw/zinc/74/55/14/1074745514.db2.gz JTUUEKDTLZSVLB-DGAVXFQQSA-N 1 2 388.428 -1.592 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@@H]1O ZINC001083784694 1074745505 /nfs/dbraw/zinc/74/55/05/1074745505.db2.gz JTUUEKDTLZSVLB-DGAVXFQQSA-N 1 2 388.428 -1.592 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083784791 1074745468 /nfs/dbraw/zinc/74/54/68/1074745468.db2.gz OHATWQZVODQEPJ-YJNKXOJESA-N 1 2 387.502 -1.303 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@@H]1O ZINC001083784791 1074745461 /nfs/dbraw/zinc/74/54/61/1074745461.db2.gz OHATWQZVODQEPJ-YJNKXOJESA-N 1 2 387.502 -1.303 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001083785070 1074745795 /nfs/dbraw/zinc/74/57/95/1074745795.db2.gz CVADGAYVUDAAFZ-DGAVXFQQSA-N 1 2 393.444 -2.530 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC001083785070 1074745788 /nfs/dbraw/zinc/74/57/88/1074745788.db2.gz CVADGAYVUDAAFZ-DGAVXFQQSA-N 1 2 393.444 -2.530 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001083785516 1074749634 /nfs/dbraw/zinc/74/96/34/1074749634.db2.gz DUMSFHXETKEQAI-BARDWOONSA-N 1 2 387.502 -1.126 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2O)C1 ZINC001083785516 1074749626 /nfs/dbraw/zinc/74/96/26/1074749626.db2.gz DUMSFHXETKEQAI-BARDWOONSA-N 1 2 387.502 -1.126 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@@H]2O)C1 ZINC001083785544 1074749439 /nfs/dbraw/zinc/74/94/39/1074749439.db2.gz HFEIUHUUHJOAPK-WVWOOGAGSA-N 1 2 388.428 -1.415 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@@H]2O)C1 ZINC001083785544 1074749431 /nfs/dbraw/zinc/74/94/31/1074749431.db2.gz HFEIUHUUHJOAPK-WVWOOGAGSA-N 1 2 388.428 -1.415 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001083785871 1074749694 /nfs/dbraw/zinc/74/96/94/1074749694.db2.gz XIRSADNEQGCCIP-RQJABVFESA-N 1 2 388.490 -1.915 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@@H]2O)C1 ZINC001083785871 1074749684 /nfs/dbraw/zinc/74/96/84/1074749684.db2.gz XIRSADNEQGCCIP-RQJABVFESA-N 1 2 388.490 -1.915 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001083789052 1074754914 /nfs/dbraw/zinc/75/49/14/1074754914.db2.gz GIJMVHSUHGFTQO-UYHMYPTGSA-N 1 2 382.461 -1.703 20 0 GAADLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@@H]1O ZINC001083789052 1074754907 /nfs/dbraw/zinc/75/49/07/1074754907.db2.gz GIJMVHSUHGFTQO-UYHMYPTGSA-N 1 2 382.461 -1.703 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@@H]1O ZINC001083789213 1074755473 /nfs/dbraw/zinc/75/54/73/1074755473.db2.gz OXSMENQGWIKVNM-ANQUJSFKSA-N 1 2 391.472 -1.020 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)[C@@H](O)C2)CC1 ZINC001083789383 1074755589 /nfs/dbraw/zinc/75/55/89/1074755589.db2.gz YXDFKWPXAKUSCX-UTXMOHQDSA-N 1 2 382.461 -1.737 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)[C@@H](O)C2)CC1 ZINC001083789383 1074755580 /nfs/dbraw/zinc/75/55/80/1074755580.db2.gz YXDFKWPXAKUSCX-UTXMOHQDSA-N 1 2 382.461 -1.737 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC001083789649 1074758012 /nfs/dbraw/zinc/75/80/12/1074758012.db2.gz NSVNNWOACOMQED-BHPKHCPMSA-N 1 2 390.444 -2.357 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1O ZINC001083789661 1074757933 /nfs/dbraw/zinc/75/79/33/1074757933.db2.gz OFFLPXHBVQXVCC-KQTLUZQSSA-N 1 2 377.445 -1.456 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)[C@@H](O)C2)CC1 ZINC001083792766 1074767799 /nfs/dbraw/zinc/76/77/99/1074767799.db2.gz ICIALMWZEKTIJG-DMRZNYOFSA-N 1 2 382.461 -1.594 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)[C@@H](O)C2)CC1 ZINC001083792766 1074767788 /nfs/dbraw/zinc/76/77/88/1074767788.db2.gz ICIALMWZEKTIJG-DMRZNYOFSA-N 1 2 382.461 -1.594 20 0 GAADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@@H]2O)O1 ZINC001083792928 1074767925 /nfs/dbraw/zinc/76/79/25/1074767925.db2.gz RDVZRPGWHOFCAR-REBRKWNGSA-N 1 2 382.461 -1.561 20 0 GAADLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C[C@@H]2O)O1 ZINC001083792928 1074767919 /nfs/dbraw/zinc/76/79/19/1074767919.db2.gz RDVZRPGWHOFCAR-REBRKWNGSA-N 1 2 382.461 -1.561 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)CC1 ZINC001083793873 1074773399 /nfs/dbraw/zinc/77/33/99/1074773399.db2.gz PLCFYWFWONWGGZ-SUJAAXHWSA-N 1 2 394.472 -1.561 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)CC1 ZINC001083793873 1074773390 /nfs/dbraw/zinc/77/33/90/1074773390.db2.gz PLCFYWFWONWGGZ-SUJAAXHWSA-N 1 2 394.472 -1.561 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)CC1 ZINC001083793943 1074773599 /nfs/dbraw/zinc/77/35/99/1074773599.db2.gz UGVLWLMNBSPLKT-MTSZKFMLSA-N 1 2 394.472 -1.594 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)CC1 ZINC001083793943 1074773591 /nfs/dbraw/zinc/77/35/91/1074773591.db2.gz UGVLWLMNBSPLKT-MTSZKFMLSA-N 1 2 394.472 -1.594 20 0 GAADLO Cn1c(=O)cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)n(C)c1=O ZINC001083794051 1074773641 /nfs/dbraw/zinc/77/36/41/1074773641.db2.gz YZKKPEWDCPOLPY-ZSAUSMIDSA-N 1 2 378.429 -1.687 20 0 GAADLO Cn1c(=O)cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)n(C)c1=O ZINC001083794051 1074773635 /nfs/dbraw/zinc/77/36/35/1074773635.db2.gz YZKKPEWDCPOLPY-ZSAUSMIDSA-N 1 2 378.429 -1.687 20 0 GAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@@H]2O)cn1 ZINC001083794583 1074780709 /nfs/dbraw/zinc/78/07/09/1074780709.db2.gz BKGKKWYNCNTGCG-JJXSEGSLSA-N 1 2 377.445 -1.456 20 0 GAADLO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@@H]2O)cn1 ZINC001083794583 1074780700 /nfs/dbraw/zinc/78/07/00/1074780700.db2.gz BKGKKWYNCNTGCG-JJXSEGSLSA-N 1 2 377.445 -1.456 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)CC1 ZINC001083850124 1074847570 /nfs/dbraw/zinc/84/75/70/1074847570.db2.gz MPSHYAJVGVZSFM-HZMVEIRTSA-N 1 2 378.473 -1.116 20 0 GAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)CC1 ZINC001083850124 1074847567 /nfs/dbraw/zinc/84/75/67/1074847567.db2.gz MPSHYAJVGVZSFM-HZMVEIRTSA-N 1 2 378.473 -1.116 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)CC1 ZINC001083850200 1074847919 /nfs/dbraw/zinc/84/79/19/1074847919.db2.gz QEQMAAJQXOFKTN-JJXSEGSLSA-N 1 2 378.473 -1.082 20 0 GAADLO NC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H](O)C2)CC1 ZINC001083850200 1074847912 /nfs/dbraw/zinc/84/79/12/1074847912.db2.gz QEQMAAJQXOFKTN-JJXSEGSLSA-N 1 2 378.473 -1.082 20 0 GAADLO CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@@H](O)C1 ZINC001083850946 1074848934 /nfs/dbraw/zinc/84/89/34/1074848934.db2.gz DNJGDDGIHMJQEY-JTOWHCCKSA-N 1 2 389.456 -1.150 20 0 GAADLO CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@@H](O)C1 ZINC001083850946 1074848932 /nfs/dbraw/zinc/84/89/32/1074848932.db2.gz DNJGDDGIHMJQEY-JTOWHCCKSA-N 1 2 389.456 -1.150 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC001084350997 1074900383 /nfs/dbraw/zinc/90/03/83/1074900383.db2.gz ZURCKJSIMUWDPK-KBUPBQIOSA-N 1 2 391.472 -1.608 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 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/nfs/dbraw/zinc/90/12/28/1074901228.db2.gz POJNAPDAESIIPL-LXTVHRRPSA-N 1 2 391.472 -1.621 20 0 GAADLO Cn1[nH]c(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)nc1=O ZINC001085031264 1074904715 /nfs/dbraw/zinc/90/47/15/1074904715.db2.gz PMGUUALKMDOLAT-MROQNXINSA-N 1 2 378.433 -1.436 20 0 GAADLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)nc1=O ZINC001085031264 1074904711 /nfs/dbraw/zinc/90/47/11/1074904711.db2.gz PMGUUALKMDOLAT-MROQNXINSA-N 1 2 378.433 -1.436 20 0 GAADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)n1 ZINC001085033961 1074904742 /nfs/dbraw/zinc/90/47/42/1074904742.db2.gz LFPZYJPUXFWPRO-NDBYEHHHSA-N 1 2 390.444 -1.098 20 0 GAADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)n1 ZINC001085033961 1074904740 /nfs/dbraw/zinc/90/47/40/1074904740.db2.gz LFPZYJPUXFWPRO-NDBYEHHHSA-N 1 2 390.444 -1.098 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001086980386 1075086276 /nfs/dbraw/zinc/08/62/76/1075086276.db2.gz ZQLOZKURILFKCX-FLTUCWPJSA-N 1 2 387.444 -1.037 20 0 GAADLO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)cn1 ZINC001086997110 1075086601 /nfs/dbraw/zinc/08/66/01/1075086601.db2.gz LJUFISORJCIKBB-MROQNXINSA-N 1 2 388.432 -1.953 20 0 GAADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1nc(CC(=O)NC)no1 ZINC001087728618 1074208736 /nfs/dbraw/zinc/20/87/36/1074208736.db2.gz HGMQMPHDUFIRQT-NOOOWODRSA-N 1 2 378.433 -1.051 20 0 GAADLO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1nc(CC(=O)NC)no1 ZINC001087728618 1074208730 /nfs/dbraw/zinc/20/87/30/1074208730.db2.gz HGMQMPHDUFIRQT-NOOOWODRSA-N 1 2 378.433 -1.051 20 0 GAADLO Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)nc1=O ZINC001088104526 1074230986 /nfs/dbraw/zinc/23/09/86/1074230986.db2.gz NGCBHARKUZXQFD-MROQNXINSA-N 1 2 378.433 -1.578 20 0 GAADLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)nc1=O ZINC001088104526 1074230975 /nfs/dbraw/zinc/23/09/75/1074230975.db2.gz NGCBHARKUZXQFD-MROQNXINSA-N 1 2 378.433 -1.578 20 0 GAADLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)n1 ZINC001088109123 1074230959 /nfs/dbraw/zinc/23/09/59/1074230959.db2.gz MNCBVRPPKQVBJF-XQHKEYJVSA-N 1 2 390.444 -1.240 20 0 GAADLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)n1 ZINC001088109123 1074230951 /nfs/dbraw/zinc/23/09/51/1074230951.db2.gz MNCBVRPPKQVBJF-XQHKEYJVSA-N 1 2 390.444 -1.240 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088574333 1074289573 /nfs/dbraw/zinc/28/95/73/1074289573.db2.gz OZWFQUCPNOEAKS-YIYPIFLZSA-N 1 2 379.461 -1.562 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088574333 1074289567 /nfs/dbraw/zinc/28/95/67/1074289567.db2.gz OZWFQUCPNOEAKS-YIYPIFLZSA-N 1 2 379.461 -1.562 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088658683 1074332997 /nfs/dbraw/zinc/33/29/97/1074332997.db2.gz PHIXAYPWTSXWOS-LUYZLQTOSA-N 1 2 393.488 -1.118 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088658683 1074332988 /nfs/dbraw/zinc/33/29/88/1074332988.db2.gz PHIXAYPWTSXWOS-LUYZLQTOSA-N 1 2 393.488 -1.118 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088756358 1074365083 /nfs/dbraw/zinc/36/50/83/1074365083.db2.gz XVWZNSBOOPGHCX-VRMHPGSRSA-N 1 2 376.457 -1.053 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088756358 1074365072 /nfs/dbraw/zinc/36/50/72/1074365072.db2.gz XVWZNSBOOPGHCX-VRMHPGSRSA-N 1 2 376.457 -1.053 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088766240 1074370575 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C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088855796 1074568405 /nfs/dbraw/zinc/56/84/05/1074568405.db2.gz FJIUXBFPRXBWNI-MROQNXINSA-N 1 2 381.433 -2.443 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088861436 1074569523 /nfs/dbraw/zinc/56/95/23/1074569523.db2.gz IFCIXWAARGQYFH-RQJABVFESA-N 1 2 379.461 -1.752 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088861436 1074569517 /nfs/dbraw/zinc/56/95/17/1074569517.db2.gz IFCIXWAARGQYFH-RQJABVFESA-N 1 2 379.461 -1.752 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088863098 1074570442 /nfs/dbraw/zinc/57/04/42/1074570442.db2.gz LCCUALNJDLIYPF-MQYQWHSLSA-N 1 2 379.461 -1.575 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC001088863098 1074570437 /nfs/dbraw/zinc/57/04/37/1074570437.db2.gz LCCUALNJDLIYPF-MQYQWHSLSA-N 1 2 379.461 -1.575 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@]3(C)C2)nc1=O ZINC001092009784 1075086972 /nfs/dbraw/zinc/08/69/72/1075086972.db2.gz JIEKMHJIVURNHB-DRAKQNMHSA-N 1 2 378.433 -1.578 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@]3(C)C2)nc1=O ZINC001092009784 1075086968 /nfs/dbraw/zinc/08/69/68/1075086968.db2.gz JIEKMHJIVURNHB-DRAKQNMHSA-N 1 2 378.433 -1.578 20 0 GAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@]3(C)C2)n1 ZINC001092016615 1075086865 /nfs/dbraw/zinc/08/68/65/1075086865.db2.gz YVIOINWXOUZEKI-PAUBSPINSA-N 1 2 390.444 -1.240 20 0 GAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@]3(C)C2)n1 ZINC001092016615 1075086860 /nfs/dbraw/zinc/08/68/60/1075086860.db2.gz YVIOINWXOUZEKI-PAUBSPINSA-N 1 2 390.444 -1.240 20 0 GAADLO CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094638312 1075089537 /nfs/dbraw/zinc/08/95/37/1075089537.db2.gz QYUWYBXGNOFODS-MHDGFBEUSA-N 1 2 381.458 -1.431 20 0 GAADLO CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094638312 1075089536 /nfs/dbraw/zinc/08/95/36/1075089536.db2.gz QYUWYBXGNOFODS-MHDGFBEUSA-N 1 2 381.458 -1.431 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094660383 1075090000 /nfs/dbraw/zinc/09/00/00/1075090000.db2.gz FWTAMCVMJARNQT-MHDGFBEUSA-N 1 2 381.458 -1.681 20 0 GAADLO Cn1c[nH+]cc1CN1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094660738 1075089964 /nfs/dbraw/zinc/08/99/64/1075089964.db2.gz MBSBFMPXBTXCHQ-ZOBORPQBSA-N 1 2 381.458 -1.649 20 0 GAADLO O=C(CN1CCCC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095162302 1075094292 /nfs/dbraw/zinc/09/42/92/1075094292.db2.gz QYJQBINCJRSSIQ-RDBSUJKOSA-N 1 2 377.445 -1.711 20 0 GAADLO O=C(CN1CCCC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095162302 1075094288 /nfs/dbraw/zinc/09/42/88/1075094288.db2.gz QYJQBINCJRSSIQ-RDBSUJKOSA-N 1 2 377.445 -1.711 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001095291757 1075095140 /nfs/dbraw/zinc/09/51/40/1075095140.db2.gz LMKOEBVNLZDHEJ-CRWXNKLISA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001095291757 1075095137 /nfs/dbraw/zinc/09/51/37/1075095137.db2.gz LMKOEBVNLZDHEJ-CRWXNKLISA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001095291758 1075095200 /nfs/dbraw/zinc/09/52/00/1075095200.db2.gz LMKOEBVNLZDHEJ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001095291758 1075095194 /nfs/dbraw/zinc/09/51/94/1075095194.db2.gz LMKOEBVNLZDHEJ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095313019 1075449076 /nfs/dbraw/zinc/44/90/76/1075449076.db2.gz IVAKWQNMWLDLPC-CRWXNKLISA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(C[C@@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095313019 1075449072 /nfs/dbraw/zinc/44/90/72/1075449072.db2.gz IVAKWQNMWLDLPC-CRWXNKLISA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(C[C@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095313024 1075449092 /nfs/dbraw/zinc/44/90/92/1075449092.db2.gz IVAKWQNMWLDLPC-MQYQWHSLSA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(C[C@H]1COC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095313024 1075449090 /nfs/dbraw/zinc/44/90/90/1075449090.db2.gz IVAKWQNMWLDLPC-MQYQWHSLSA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095329524 1075507814 /nfs/dbraw/zinc/50/78/14/1075507814.db2.gz PQPUPUOQWODBNR-ILXRZTDVSA-N 1 2 379.461 -2.002 20 0 GAADLO O=C(CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095329524 1075507812 /nfs/dbraw/zinc/50/78/12/1075507812.db2.gz PQPUPUOQWODBNR-ILXRZTDVSA-N 1 2 379.461 -2.002 20 0 GAADLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001095333752 1075510182 /nfs/dbraw/zinc/51/01/82/1075510182.db2.gz JBEBMISLKBPNFN-CRWXNKLISA-N 1 2 375.433 -1.481 20 0 GAADLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001095333752 1075510177 /nfs/dbraw/zinc/51/01/77/1075510177.db2.gz JBEBMISLKBPNFN-CRWXNKLISA-N 1 2 375.433 -1.481 20 0 GAADLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001095333753 1075510160 /nfs/dbraw/zinc/51/01/60/1075510160.db2.gz JBEBMISLKBPNFN-MQYQWHSLSA-N 1 2 375.433 -1.481 20 0 GAADLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001095333753 1075510154 /nfs/dbraw/zinc/51/01/54/1075510154.db2.gz JBEBMISLKBPNFN-MQYQWHSLSA-N 1 2 375.433 -1.481 20 0 GAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095336135 1075510987 /nfs/dbraw/zinc/51/09/87/1075510987.db2.gz OQFVHHOMFAVARN-CBBWQLFWSA-N 1 2 379.461 -2.003 20 0 GAADLO CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095336135 1075510978 /nfs/dbraw/zinc/51/09/78/1075510978.db2.gz OQFVHHOMFAVARN-CBBWQLFWSA-N 1 2 379.461 -2.003 20 0 GAADLO CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095336136 1075511016 /nfs/dbraw/zinc/51/10/16/1075511016.db2.gz OQFVHHOMFAVARN-QPSCCSFWSA-N 1 2 379.461 -2.003 20 0 GAADLO CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095336136 1075511010 /nfs/dbraw/zinc/51/10/10/1075511010.db2.gz OQFVHHOMFAVARN-QPSCCSFWSA-N 1 2 379.461 -2.003 20 0 GAADLO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095338133 1075511252 /nfs/dbraw/zinc/51/12/52/1075511252.db2.gz JVMYQGUSIHYMKX-WOPDTQHZSA-N 1 2 377.405 -2.336 20 0 GAADLO O=C(CN1CN=NC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095338133 1075511244 /nfs/dbraw/zinc/51/12/44/1075511244.db2.gz JVMYQGUSIHYMKX-WOPDTQHZSA-N 1 2 377.405 -2.336 20 0 GAADLO C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001095338365 1075511059 /nfs/dbraw/zinc/51/10/59/1075511059.db2.gz WKPSJEGAZBOICR-CRWXNKLISA-N 1 2 378.433 -1.048 20 0 GAADLO C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001095338365 1075511055 /nfs/dbraw/zinc/51/10/55/1075511055.db2.gz WKPSJEGAZBOICR-CRWXNKLISA-N 1 2 378.433 -1.048 20 0 GAADLO C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001095338366 1075511030 /nfs/dbraw/zinc/51/10/30/1075511030.db2.gz WKPSJEGAZBOICR-MQYQWHSLSA-N 1 2 378.433 -1.048 20 0 GAADLO C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001095338366 1075511026 /nfs/dbraw/zinc/51/10/26/1075511026.db2.gz WKPSJEGAZBOICR-MQYQWHSLSA-N 1 2 378.433 -1.048 20 0 GAADLO O=C(CC1OCCCO1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095353144 1075511276 /nfs/dbraw/zinc/51/12/76/1075511276.db2.gz HBRUMXDHOXADBJ-RDBSUJKOSA-N 1 2 380.445 -1.181 20 0 GAADLO O=C(CC1OCCCO1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095353144 1075511269 /nfs/dbraw/zinc/51/12/69/1075511269.db2.gz HBRUMXDHOXADBJ-RDBSUJKOSA-N 1 2 380.445 -1.181 20 0 GAADLO Cn1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)cc1=O ZINC001095358716 1075511342 /nfs/dbraw/zinc/51/13/42/1075511342.db2.gz JWQWKLSKPHHSAJ-WOPDTQHZSA-N 1 2 377.401 -1.728 20 0 GAADLO Cn1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)cc1=O ZINC001095358716 1075511335 /nfs/dbraw/zinc/51/13/35/1075511335.db2.gz JWQWKLSKPHHSAJ-WOPDTQHZSA-N 1 2 377.401 -1.728 20 0 GAADLO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001095359461 1075511404 /nfs/dbraw/zinc/51/14/04/1075511404.db2.gz KCDHSVNOCHVINH-ILXRZTDVSA-N 1 2 377.445 -1.855 20 0 GAADLO CC(=O)N1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001095359461 1075511398 /nfs/dbraw/zinc/51/13/98/1075511398.db2.gz KCDHSVNOCHVINH-ILXRZTDVSA-N 1 2 377.445 -1.855 20 0 GAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)o1 ZINC001095383374 1075525025 /nfs/dbraw/zinc/52/50/25/1075525025.db2.gz AXUXJZIBVXIUQK-AGIUHOORSA-N 1 2 376.417 -1.400 20 0 GAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)o1 ZINC001095383374 1075525020 /nfs/dbraw/zinc/52/50/20/1075525020.db2.gz AXUXJZIBVXIUQK-AGIUHOORSA-N 1 2 376.417 -1.400 20 0 GAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001095397416 1075525229 /nfs/dbraw/zinc/52/52/29/1075525229.db2.gz PNOSIUASQXTBCM-AGIUHOORSA-N 1 2 375.433 -1.664 20 0 GAADLO Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001095397416 1075525223 /nfs/dbraw/zinc/52/52/23/1075525223.db2.gz PNOSIUASQXTBCM-AGIUHOORSA-N 1 2 375.433 -1.664 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001095430652 1075634031 /nfs/dbraw/zinc/63/40/31/1075634031.db2.gz VWZIQYXHPGPDML-QMIVOQANSA-N 1 2 391.472 -1.419 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001095430652 1075634024 /nfs/dbraw/zinc/63/40/24/1075634024.db2.gz VWZIQYXHPGPDML-QMIVOQANSA-N 1 2 391.472 -1.419 20 0 GAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001095493119 1075667179 /nfs/dbraw/zinc/66/71/79/1075667179.db2.gz HZUMIABWNBZGOS-CRWXNKLISA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001095493119 1075667175 /nfs/dbraw/zinc/66/71/75/1075667175.db2.gz HZUMIABWNBZGOS-CRWXNKLISA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001095493120 1075667076 /nfs/dbraw/zinc/66/70/76/1075667076.db2.gz HZUMIABWNBZGOS-MQYQWHSLSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001095493120 1075667073 /nfs/dbraw/zinc/66/70/73/1075667073.db2.gz HZUMIABWNBZGOS-MQYQWHSLSA-N 1 2 377.445 -1.855 20 0 GAADLO O=C(C[C@@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095527465 1075673889 /nfs/dbraw/zinc/67/38/89/1075673889.db2.gz ZFVNQHFDPGCQOJ-CRWXNKLISA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095527465 1075673887 /nfs/dbraw/zinc/67/38/87/1075673887.db2.gz ZFVNQHFDPGCQOJ-CRWXNKLISA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095527466 1075673816 /nfs/dbraw/zinc/67/38/16/1075673816.db2.gz ZFVNQHFDPGCQOJ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@H]1CCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095527466 1075673814 /nfs/dbraw/zinc/67/38/14/1075673814.db2.gz ZFVNQHFDPGCQOJ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095560070 1075678018 /nfs/dbraw/zinc/67/80/18/1075678018.db2.gz MELNTUFWDMOCBT-WLZFUECHSA-N 1 2 380.445 -1.530 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095560070 1075678016 /nfs/dbraw/zinc/67/80/16/1075678016.db2.gz MELNTUFWDMOCBT-WLZFUECHSA-N 1 2 380.445 -1.530 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001095569005 1075679087 /nfs/dbraw/zinc/67/90/87/1075679087.db2.gz CZSNMGXKJSQTLJ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001095569005 1075679086 /nfs/dbraw/zinc/67/90/86/1075679086.db2.gz CZSNMGXKJSQTLJ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001095569006 1075679148 /nfs/dbraw/zinc/67/91/48/1075679148.db2.gz CZSNMGXKJSQTLJ-RFGFWPKPSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001095569006 1075679145 /nfs/dbraw/zinc/67/91/45/1075679145.db2.gz CZSNMGXKJSQTLJ-RFGFWPKPSA-N 1 2 377.445 -1.808 20 0 GAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095579040 1075679835 /nfs/dbraw/zinc/67/98/35/1075679835.db2.gz KNDVZOOBTJYYFS-WOPDTQHZSA-N 1 2 376.417 -1.283 20 0 GAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095579040 1075679834 /nfs/dbraw/zinc/67/98/34/1075679834.db2.gz KNDVZOOBTJYYFS-WOPDTQHZSA-N 1 2 376.417 -1.283 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C2)N1CCNC(=O)C1 ZINC001095584437 1075682232 /nfs/dbraw/zinc/68/22/32/1075682232.db2.gz VPDLHVNSDUEXIU-MQYQWHSLSA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C2)N1CCNC(=O)C1 ZINC001095584437 1075682226 /nfs/dbraw/zinc/68/22/26/1075682226.db2.gz VPDLHVNSDUEXIU-MQYQWHSLSA-N 1 2 377.445 -1.665 20 0 GAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)O1 ZINC001095611170 1075683642 /nfs/dbraw/zinc/68/36/42/1075683642.db2.gz HPQHBCAIWLRAOI-NIFZNCRKSA-N 1 2 379.461 -1.021 20 0 GAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)O1 ZINC001095611170 1075683640 /nfs/dbraw/zinc/68/36/40/1075683640.db2.gz HPQHBCAIWLRAOI-NIFZNCRKSA-N 1 2 379.461 -1.021 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001095664479 1075687305 /nfs/dbraw/zinc/68/73/05/1075687305.db2.gz BOMTUOMUHWRAIQ-CRWXNKLISA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001095664479 1075687301 /nfs/dbraw/zinc/68/73/01/1075687301.db2.gz BOMTUOMUHWRAIQ-CRWXNKLISA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001095664480 1075687190 /nfs/dbraw/zinc/68/71/90/1075687190.db2.gz BOMTUOMUHWRAIQ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001095664480 1075687186 /nfs/dbraw/zinc/68/71/86/1075687186.db2.gz BOMTUOMUHWRAIQ-MQYQWHSLSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001095803594 1075770074 /nfs/dbraw/zinc/77/00/74/1075770074.db2.gz VFROMICKGPUJPL-RFGFWPKPSA-N 1 2 381.458 -1.482 20 0 GAADLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001095803594 1075770073 /nfs/dbraw/zinc/77/00/73/1075770073.db2.gz VFROMICKGPUJPL-RFGFWPKPSA-N 1 2 381.458 -1.482 20 0 GAADLO Cn1c[nH+]cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001095803643 1075770143 /nfs/dbraw/zinc/77/01/43/1075770143.db2.gz YOSXJDRTTZOUBS-SAXRGWBVSA-N 1 2 381.458 -1.445 20 0 GAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001095806930 1075781513 /nfs/dbraw/zinc/78/15/13/1075781513.db2.gz UCRNFPURQSBPPO-OVSNFEJUSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001095806930 1075781510 /nfs/dbraw/zinc/78/15/10/1075781510.db2.gz UCRNFPURQSBPPO-OVSNFEJUSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001095806931 1075781499 /nfs/dbraw/zinc/78/14/99/1075781499.db2.gz UCRNFPURQSBPPO-OXRQTFEDSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001095806931 1075781496 /nfs/dbraw/zinc/78/14/96/1075781496.db2.gz UCRNFPURQSBPPO-OXRQTFEDSA-N 1 2 377.445 -1.808 20 0 GAADLO Cn1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)c[nH]c1=O ZINC001095871441 1075803467 /nfs/dbraw/zinc/80/34/67/1075803467.db2.gz MHCSSRCQKABLLR-WOPDTQHZSA-N 1 2 376.417 -1.581 20 0 GAADLO Cn1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)c[nH]c1=O ZINC001095871441 1075803462 /nfs/dbraw/zinc/80/34/62/1075803462.db2.gz MHCSSRCQKABLLR-WOPDTQHZSA-N 1 2 376.417 -1.581 20 0 GAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001095872760 1075803419 /nfs/dbraw/zinc/80/34/19/1075803419.db2.gz WNSFGIRNHDMONI-VOAKCMCISA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001095872760 1075803416 /nfs/dbraw/zinc/80/34/16/1075803416.db2.gz WNSFGIRNHDMONI-VOAKCMCISA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001095872761 1075803430 /nfs/dbraw/zinc/80/34/30/1075803430.db2.gz WNSFGIRNHDMONI-XQHKEYJVSA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001095872761 1075803426 /nfs/dbraw/zinc/80/34/26/1075803426.db2.gz WNSFGIRNHDMONI-XQHKEYJVSA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095883834 1075808105 /nfs/dbraw/zinc/80/81/05/1075808105.db2.gz DJPHHPYEPQABLY-RFGFWPKPSA-N 1 2 377.445 -1.713 20 0 GAADLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095883834 1075808101 /nfs/dbraw/zinc/80/81/01/1075808101.db2.gz DJPHHPYEPQABLY-RFGFWPKPSA-N 1 2 377.445 -1.713 20 0 GAADLO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001095889439 1075811516 /nfs/dbraw/zinc/81/15/16/1075811516.db2.gz VJXJNRXNIYRTIC-MQYQWHSLSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001095889439 1075811514 /nfs/dbraw/zinc/81/15/14/1075811514.db2.gz VJXJNRXNIYRTIC-MQYQWHSLSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001095889440 1075811446 /nfs/dbraw/zinc/81/14/46/1075811446.db2.gz VJXJNRXNIYRTIC-RFGFWPKPSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001095889440 1075811438 /nfs/dbraw/zinc/81/14/38/1075811438.db2.gz VJXJNRXNIYRTIC-RFGFWPKPSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095906604 1075822241 /nfs/dbraw/zinc/82/22/41/1075822241.db2.gz DJPHHPYEPQABLY-ZOBORPQBSA-N 1 2 377.445 -1.713 20 0 GAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001095906604 1075822235 /nfs/dbraw/zinc/82/22/35/1075822235.db2.gz DJPHHPYEPQABLY-ZOBORPQBSA-N 1 2 377.445 -1.713 20 0 GAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001095957280 1073410471 /nfs/dbraw/zinc/41/04/71/1073410471.db2.gz SBHQCDOXESDZSP-RDBSUJKOSA-N 1 2 377.445 -1.726 20 0 GAADLO NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001095957280 1073410460 /nfs/dbraw/zinc/41/04/60/1073410460.db2.gz SBHQCDOXESDZSP-RDBSUJKOSA-N 1 2 377.445 -1.726 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)[nH]c1=O ZINC001095970606 1073412923 /nfs/dbraw/zinc/41/29/23/1073412923.db2.gz RRTDBIVHJXOYBB-MDZLAQPJSA-N 1 2 376.417 -1.581 20 0 GAADLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)[nH]c1=O ZINC001095970606 1073412918 /nfs/dbraw/zinc/41/29/18/1073412918.db2.gz RRTDBIVHJXOYBB-MDZLAQPJSA-N 1 2 376.417 -1.581 20 0 GAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CCC(=O)N1 ZINC001095975801 1073418879 /nfs/dbraw/zinc/41/88/79/1073418879.db2.gz WYBNGIVLDUVIMC-OXRQTFEDSA-N 1 2 377.445 -1.665 20 0 GAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CCC(=O)N1 ZINC001095975801 1073418874 /nfs/dbraw/zinc/41/88/74/1073418874.db2.gz WYBNGIVLDUVIMC-OXRQTFEDSA-N 1 2 377.445 -1.665 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001095990134 1073420954 /nfs/dbraw/zinc/42/09/54/1073420954.db2.gz DFIMZHGAERXWQT-USWWRNFRSA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001095990134 1073420945 /nfs/dbraw/zinc/42/09/45/1073420945.db2.gz DFIMZHGAERXWQT-USWWRNFRSA-N 1 2 382.446 -1.329 20 0 GAADLO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001095990193 1073420779 /nfs/dbraw/zinc/42/07/79/1073420779.db2.gz HCDGRTSGVSPKSJ-NUGNTBJXSA-N 1 2 382.446 -1.377 20 0 GAADLO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001095990193 1073420769 /nfs/dbraw/zinc/42/07/69/1073420769.db2.gz HCDGRTSGVSPKSJ-NUGNTBJXSA-N 1 2 382.446 -1.377 20 0 GAADLO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001095990194 1073420849 /nfs/dbraw/zinc/42/08/49/1073420849.db2.gz HCDGRTSGVSPKSJ-QTKMDUPCSA-N 1 2 382.446 -1.377 20 0 GAADLO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001095990194 1073420838 /nfs/dbraw/zinc/42/08/38/1073420838.db2.gz HCDGRTSGVSPKSJ-QTKMDUPCSA-N 1 2 382.446 -1.377 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001095990268 1073421671 /nfs/dbraw/zinc/42/16/71/1073421671.db2.gz KMVYHKQNNSKMIW-USWWRNFRSA-N 1 2 382.446 -1.376 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001095990268 1073421667 /nfs/dbraw/zinc/42/16/67/1073421667.db2.gz KMVYHKQNNSKMIW-USWWRNFRSA-N 1 2 382.446 -1.376 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001095990339 1073421594 /nfs/dbraw/zinc/42/15/94/1073421594.db2.gz NXSGBTIXBMGILN-NUGNTBJXSA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001095990339 1073421588 /nfs/dbraw/zinc/42/15/88/1073421588.db2.gz NXSGBTIXBMGILN-NUGNTBJXSA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001095990340 1073421655 /nfs/dbraw/zinc/42/16/55/1073421655.db2.gz NXSGBTIXBMGILN-QTKMDUPCSA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001095990340 1073421650 /nfs/dbraw/zinc/42/16/50/1073421650.db2.gz NXSGBTIXBMGILN-QTKMDUPCSA-N 1 2 382.446 -1.329 20 0 GAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001096002919 1073426392 /nfs/dbraw/zinc/42/63/92/1073426392.db2.gz CSQCDBWNNQQGJA-OVSNFEJUSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001096002919 1073426385 /nfs/dbraw/zinc/42/63/85/1073426385.db2.gz CSQCDBWNNQQGJA-OVSNFEJUSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001096002921 1073426411 /nfs/dbraw/zinc/42/64/11/1073426411.db2.gz CSQCDBWNNQQGJA-OXRQTFEDSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001096002921 1073426404 /nfs/dbraw/zinc/42/64/04/1073426404.db2.gz CSQCDBWNNQQGJA-OXRQTFEDSA-N 1 2 377.445 -1.808 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)O1 ZINC001096005477 1073425912 /nfs/dbraw/zinc/42/59/12/1073425912.db2.gz AWKPOMOLQRBAQV-IKOXMDCHSA-N 1 2 393.444 -2.301 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)O1 ZINC001096005477 1073425897 /nfs/dbraw/zinc/42/58/97/1073425897.db2.gz AWKPOMOLQRBAQV-IKOXMDCHSA-N 1 2 393.444 -2.301 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)O1 ZINC001096005751 1073426183 /nfs/dbraw/zinc/42/61/83/1073426183.db2.gz PDMVEIIVYVNKEB-CAEXGNQWSA-N 1 2 380.445 -1.400 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)O1 ZINC001096005751 1073426173 /nfs/dbraw/zinc/42/61/73/1073426173.db2.gz PDMVEIIVYVNKEB-CAEXGNQWSA-N 1 2 380.445 -1.400 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096018392 1073426110 /nfs/dbraw/zinc/42/61/10/1073426110.db2.gz MUPCAPBKQBNMSA-SEBNEYGDSA-N 1 2 391.472 -1.609 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096018392 1073426099 /nfs/dbraw/zinc/42/60/99/1073426099.db2.gz MUPCAPBKQBNMSA-SEBNEYGDSA-N 1 2 391.472 -1.609 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001096023729 1073426752 /nfs/dbraw/zinc/42/67/52/1073426752.db2.gz FDAQSKRNKDBPCN-SEBNEYGDSA-N 1 2 391.472 -1.432 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001096023729 1073426745 /nfs/dbraw/zinc/42/67/45/1073426745.db2.gz FDAQSKRNKDBPCN-SEBNEYGDSA-N 1 2 391.472 -1.432 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2)N1CCOCC1 ZINC001096079144 1073430202 /nfs/dbraw/zinc/43/02/02/1073430202.db2.gz NMZSIDTYOPDKTH-VOAKCMCISA-N 1 2 379.417 -1.835 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2)N1CCOCC1 ZINC001096079144 1073430198 /nfs/dbraw/zinc/43/01/98/1073430198.db2.gz NMZSIDTYOPDKTH-VOAKCMCISA-N 1 2 379.417 -1.835 20 0 GAADLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C2 ZINC001096098971 1073434143 /nfs/dbraw/zinc/43/41/43/1073434143.db2.gz MXXOMQKVPQQHGY-USWWRNFRSA-N 1 2 375.389 -1.543 20 0 GAADLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C2 ZINC001096098971 1073434129 /nfs/dbraw/zinc/43/41/29/1073434129.db2.gz MXXOMQKVPQQHGY-USWWRNFRSA-N 1 2 375.389 -1.543 20 0 GAADLO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001096139468 1073437919 /nfs/dbraw/zinc/43/79/19/1073437919.db2.gz GFMDNHCPBNOIPB-RDBSUJKOSA-N 1 2 377.449 -1.012 20 0 GAADLO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001096139468 1073437914 /nfs/dbraw/zinc/43/79/14/1073437914.db2.gz GFMDNHCPBNOIPB-RDBSUJKOSA-N 1 2 377.449 -1.012 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(C1)NC(=O)NC3=O)C2)NC1CC1 ZINC001096149999 1073439157 /nfs/dbraw/zinc/43/91/57/1073439157.db2.gz JEEDAXNYDSITAD-DAVLUUJKSA-N 1 2 375.429 -1.025 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(C1)NC(=O)NC3=O)C2)NC1CC1 ZINC001096149999 1073439151 /nfs/dbraw/zinc/43/91/51/1073439151.db2.gz JEEDAXNYDSITAD-DAVLUUJKSA-N 1 2 375.429 -1.025 20 0 GAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096152719 1073439328 /nfs/dbraw/zinc/43/93/28/1073439328.db2.gz WRWXISGUOGZDEW-CRWXNKLISA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096152719 1073439324 /nfs/dbraw/zinc/43/93/24/1073439324.db2.gz WRWXISGUOGZDEW-CRWXNKLISA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[C@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096152720 1073439441 /nfs/dbraw/zinc/43/94/41/1073439441.db2.gz WRWXISGUOGZDEW-MQYQWHSLSA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[C@H]1CCC(=O)N1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096152720 1073439433 /nfs/dbraw/zinc/43/94/33/1073439433.db2.gz WRWXISGUOGZDEW-MQYQWHSLSA-N 1 2 377.445 -1.665 20 0 GAADLO Cc1nonc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096266855 1073441201 /nfs/dbraw/zinc/44/12/01/1073441201.db2.gz VPHSCILDPHQMCJ-XBFCOCLRSA-N 1 2 376.417 -1.400 20 0 GAADLO Cc1nonc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096266855 1073441196 /nfs/dbraw/zinc/44/11/96/1073441196.db2.gz VPHSCILDPHQMCJ-XBFCOCLRSA-N 1 2 376.417 -1.400 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CN1C(=O)CCC1=O ZINC001096308894 1073443194 /nfs/dbraw/zinc/44/31/94/1073443194.db2.gz CQLUIRGWHXSYSH-NDBYEHHHSA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CN1C(=O)CCC1=O ZINC001096308894 1073443192 /nfs/dbraw/zinc/44/31/92/1073443192.db2.gz CQLUIRGWHXSYSH-NDBYEHHHSA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1C(=O)CCC1=O ZINC001096308895 1073442891 /nfs/dbraw/zinc/44/28/91/1073442891.db2.gz CQLUIRGWHXSYSH-VOAKCMCISA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1C(=O)CCC1=O ZINC001096308895 1073442881 /nfs/dbraw/zinc/44/28/81/1073442881.db2.gz CQLUIRGWHXSYSH-VOAKCMCISA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001096537031 1073449282 /nfs/dbraw/zinc/44/92/82/1073449282.db2.gz HLTRTTSQTCWHPX-ILXRZTDVSA-N 1 2 382.490 -1.270 20 0 GAADLO O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001096537031 1073449270 /nfs/dbraw/zinc/44/92/70/1073449270.db2.gz HLTRTTSQTCWHPX-ILXRZTDVSA-N 1 2 382.490 -1.270 20 0 GAADLO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2)C1CC1 ZINC001096605275 1073452534 /nfs/dbraw/zinc/45/25/34/1073452534.db2.gz HIYJUIQWGGBJHE-DYEKYZERSA-N 1 2 375.433 -1.281 20 0 GAADLO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2)C1CC1 ZINC001096605275 1073452526 /nfs/dbraw/zinc/45/25/26/1073452526.db2.gz HIYJUIQWGGBJHE-DYEKYZERSA-N 1 2 375.433 -1.281 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCCC2)nn1 ZINC001096605286 1073452337 /nfs/dbraw/zinc/45/23/37/1073452337.db2.gz HMEUYDIXJSNMBL-DYEKYZERSA-N 1 2 375.433 -1.279 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCCC2)nn1 ZINC001096605286 1073452335 /nfs/dbraw/zinc/45/23/35/1073452335.db2.gz HMEUYDIXJSNMBL-DYEKYZERSA-N 1 2 375.433 -1.279 20 0 GAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096608729 1073453382 /nfs/dbraw/zinc/45/33/82/1073453382.db2.gz BBKXJRKCLPBWJB-TWJQMWNJSA-N 1 2 375.433 -1.234 20 0 GAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096608729 1073453376 /nfs/dbraw/zinc/45/33/76/1073453376.db2.gz BBKXJRKCLPBWJB-TWJQMWNJSA-N 1 2 375.433 -1.234 20 0 GAADLO C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096608730 1073453439 /nfs/dbraw/zinc/45/34/39/1073453439.db2.gz BBKXJRKCLPBWJB-WUWHUORYSA-N 1 2 375.433 -1.234 20 0 GAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001096608730 1073453434 /nfs/dbraw/zinc/45/34/34/1073453434.db2.gz BBKXJRKCLPBWJB-WUWHUORYSA-N 1 2 375.433 -1.234 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001096609326 1073453455 /nfs/dbraw/zinc/45/34/55/1073453455.db2.gz NLJMFMBEUICMSO-LLHIFLOGSA-N 1 2 375.389 -2.096 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001096609326 1073453454 /nfs/dbraw/zinc/45/34/54/1073453454.db2.gz NLJMFMBEUICMSO-LLHIFLOGSA-N 1 2 375.389 -2.096 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)nn1 ZINC001096609327 1073453360 /nfs/dbraw/zinc/45/33/60/1073453360.db2.gz NLJMFMBEUICMSO-QCZKYFFMSA-N 1 2 375.389 -2.096 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)nn1 ZINC001096609327 1073453356 /nfs/dbraw/zinc/45/33/56/1073453356.db2.gz NLJMFMBEUICMSO-QCZKYFFMSA-N 1 2 375.389 -2.096 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)nn1 ZINC001096609810 1073453408 /nfs/dbraw/zinc/45/34/08/1073453408.db2.gz WPKPUBOTBHCIMZ-UVLXDEKHSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)nn1 ZINC001096609810 1073453399 /nfs/dbraw/zinc/45/33/99/1073453399.db2.gz WPKPUBOTBHCIMZ-UVLXDEKHSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)nn1 ZINC001096609816 1073453423 /nfs/dbraw/zinc/45/34/23/1073453423.db2.gz WPKPUBOTBHCIMZ-XWUBHJNHSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)nn1 ZINC001096609816 1073453417 /nfs/dbraw/zinc/45/34/17/1073453417.db2.gz WPKPUBOTBHCIMZ-XWUBHJNHSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)nn1 ZINC001096609990 1073454251 /nfs/dbraw/zinc/45/42/51/1073454251.db2.gz ZULWBTWALXUKHA-DYEKYZERSA-N 1 2 377.449 -1.210 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)nn1 ZINC001096609990 1073454247 /nfs/dbraw/zinc/45/42/47/1073454247.db2.gz ZULWBTWALXUKHA-DYEKYZERSA-N 1 2 377.449 -1.210 20 0 GAADLO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611106 1073453556 /nfs/dbraw/zinc/45/35/56/1073453556.db2.gz IRNMWNAUPAZIBK-NMKXLXIOSA-N 1 2 377.449 -1.164 20 0 GAADLO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611106 1073453551 /nfs/dbraw/zinc/45/35/51/1073453551.db2.gz IRNMWNAUPAZIBK-NMKXLXIOSA-N 1 2 377.449 -1.164 20 0 GAADLO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611107 1073453334 /nfs/dbraw/zinc/45/33/34/1073453334.db2.gz IRNMWNAUPAZIBK-OPDFLTKYSA-N 1 2 377.449 -1.164 20 0 GAADLO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001096611107 1073453326 /nfs/dbraw/zinc/45/33/26/1073453326.db2.gz IRNMWNAUPAZIBK-OPDFLTKYSA-N 1 2 377.449 -1.164 20 0 GAADLO O=C(CN1CCCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096785484 1073454749 /nfs/dbraw/zinc/45/47/49/1073454749.db2.gz QYJQBINCJRSSIQ-MCIONIFRSA-N 1 2 377.445 -1.711 20 0 GAADLO O=C(CN1CCCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096785484 1073454744 /nfs/dbraw/zinc/45/47/44/1073454744.db2.gz QYJQBINCJRSSIQ-MCIONIFRSA-N 1 2 377.445 -1.711 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001096947854 1073455577 /nfs/dbraw/zinc/45/55/77/1073455577.db2.gz LMKOEBVNLZDHEJ-DGAVXFQQSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001096947854 1073455575 /nfs/dbraw/zinc/45/55/75/1073455575.db2.gz LMKOEBVNLZDHEJ-DGAVXFQQSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001096947855 1073455654 /nfs/dbraw/zinc/45/56/54/1073455654.db2.gz LMKOEBVNLZDHEJ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2)N1CCNC(=O)C1 ZINC001096947855 1073455651 /nfs/dbraw/zinc/45/56/51/1073455651.db2.gz LMKOEBVNLZDHEJ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096957029 1073455514 /nfs/dbraw/zinc/45/55/14/1073455514.db2.gz IVAKWQNMWLDLPC-DGAVXFQQSA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096957029 1073455510 /nfs/dbraw/zinc/45/55/10/1073455510.db2.gz IVAKWQNMWLDLPC-DGAVXFQQSA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096957030 1073455506 /nfs/dbraw/zinc/45/55/06/1073455506.db2.gz IVAKWQNMWLDLPC-SYQHCUMBSA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096957030 1073455502 /nfs/dbraw/zinc/45/55/02/1073455502.db2.gz IVAKWQNMWLDLPC-SYQHCUMBSA-N 1 2 378.429 -1.381 20 0 GAADLO O=C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096968626 1073455569 /nfs/dbraw/zinc/45/55/69/1073455569.db2.gz PQPUPUOQWODBNR-KFWWJZLASA-N 1 2 379.461 -2.002 20 0 GAADLO O=C(CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096968626 1073455567 /nfs/dbraw/zinc/45/55/67/1073455567.db2.gz PQPUPUOQWODBNR-KFWWJZLASA-N 1 2 379.461 -2.002 20 0 GAADLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001096978173 1073455722 /nfs/dbraw/zinc/45/57/22/1073455722.db2.gz JBEBMISLKBPNFN-DGAVXFQQSA-N 1 2 375.433 -1.481 20 0 GAADLO C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001096978173 1073455716 /nfs/dbraw/zinc/45/57/16/1073455716.db2.gz JBEBMISLKBPNFN-DGAVXFQQSA-N 1 2 375.433 -1.481 20 0 GAADLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001096978177 1073455553 /nfs/dbraw/zinc/45/55/53/1073455553.db2.gz JBEBMISLKBPNFN-SYQHCUMBSA-N 1 2 375.433 -1.481 20 0 GAADLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1)n1cncn1 ZINC001096978177 1073455551 /nfs/dbraw/zinc/45/55/51/1073455551.db2.gz JBEBMISLKBPNFN-SYQHCUMBSA-N 1 2 375.433 -1.481 20 0 GAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096978616 1073455605 /nfs/dbraw/zinc/45/56/05/1073455605.db2.gz OQFVHHOMFAVARN-APIJFGDWSA-N 1 2 379.461 -2.003 20 0 GAADLO CN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096978616 1073455603 /nfs/dbraw/zinc/45/56/03/1073455603.db2.gz OQFVHHOMFAVARN-APIJFGDWSA-N 1 2 379.461 -2.003 20 0 GAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096978617 1073455619 /nfs/dbraw/zinc/45/56/19/1073455619.db2.gz OQFVHHOMFAVARN-KBXIAJHMSA-N 1 2 379.461 -2.003 20 0 GAADLO CN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096978617 1073455617 /nfs/dbraw/zinc/45/56/17/1073455617.db2.gz OQFVHHOMFAVARN-KBXIAJHMSA-N 1 2 379.461 -2.003 20 0 GAADLO C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001096982207 1073455642 /nfs/dbraw/zinc/45/56/42/1073455642.db2.gz WKPSJEGAZBOICR-DGAVXFQQSA-N 1 2 378.433 -1.048 20 0 GAADLO C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001096982207 1073455640 /nfs/dbraw/zinc/45/56/40/1073455640.db2.gz WKPSJEGAZBOICR-DGAVXFQQSA-N 1 2 378.433 -1.048 20 0 GAADLO C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001096982209 1073456460 /nfs/dbraw/zinc/45/64/60/1073456460.db2.gz WKPSJEGAZBOICR-SYQHCUMBSA-N 1 2 378.433 -1.048 20 0 GAADLO C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CN=NC2=O)C3)CCO1 ZINC001096982209 1073456457 /nfs/dbraw/zinc/45/64/57/1073456457.db2.gz WKPSJEGAZBOICR-SYQHCUMBSA-N 1 2 378.433 -1.048 20 0 GAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096983544 1073456749 /nfs/dbraw/zinc/45/67/49/1073456749.db2.gz JVMYQGUSIHYMKX-UTUOFQBUSA-N 1 2 377.405 -2.336 20 0 GAADLO O=C(CN1CN=NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001096983544 1073456743 /nfs/dbraw/zinc/45/67/43/1073456743.db2.gz JVMYQGUSIHYMKX-UTUOFQBUSA-N 1 2 377.405 -2.336 20 0 GAADLO O=C(CC1OCCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097000237 1073456492 /nfs/dbraw/zinc/45/64/92/1073456492.db2.gz HBRUMXDHOXADBJ-MCIONIFRSA-N 1 2 380.445 -1.181 20 0 GAADLO O=C(CC1OCCCO1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097000237 1073456488 /nfs/dbraw/zinc/45/64/88/1073456488.db2.gz HBRUMXDHOXADBJ-MCIONIFRSA-N 1 2 380.445 -1.181 20 0 GAADLO Cn1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)cc1=O ZINC001097008816 1073456566 /nfs/dbraw/zinc/45/65/66/1073456566.db2.gz JWQWKLSKPHHSAJ-UTUOFQBUSA-N 1 2 377.401 -1.728 20 0 GAADLO Cn1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)cc1=O ZINC001097008816 1073456556 /nfs/dbraw/zinc/45/65/56/1073456556.db2.gz JWQWKLSKPHHSAJ-UTUOFQBUSA-N 1 2 377.401 -1.728 20 0 GAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001097010118 1073456434 /nfs/dbraw/zinc/45/64/34/1073456434.db2.gz KCDHSVNOCHVINH-KFWWJZLASA-N 1 2 377.445 -1.855 20 0 GAADLO CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001097010118 1073456429 /nfs/dbraw/zinc/45/64/29/1073456429.db2.gz KCDHSVNOCHVINH-KFWWJZLASA-N 1 2 377.445 -1.855 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)o1 ZINC001097034977 1073456472 /nfs/dbraw/zinc/45/64/72/1073456472.db2.gz AXUXJZIBVXIUQK-UPJWGTAASA-N 1 2 376.417 -1.400 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)o1 ZINC001097034977 1073456469 /nfs/dbraw/zinc/45/64/69/1073456469.db2.gz AXUXJZIBVXIUQK-UPJWGTAASA-N 1 2 376.417 -1.400 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001097045706 1073457646 /nfs/dbraw/zinc/45/76/46/1073457646.db2.gz PNOSIUASQXTBCM-UPJWGTAASA-N 1 2 375.433 -1.664 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)[nH]1 ZINC001097045706 1073457639 /nfs/dbraw/zinc/45/76/39/1073457639.db2.gz PNOSIUASQXTBCM-UPJWGTAASA-N 1 2 375.433 -1.664 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001097092976 1073457692 /nfs/dbraw/zinc/45/76/92/1073457692.db2.gz VWZIQYXHPGPDML-RYPNDVFKSA-N 1 2 391.472 -1.419 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001097092976 1073457689 /nfs/dbraw/zinc/45/76/89/1073457689.db2.gz VWZIQYXHPGPDML-RYPNDVFKSA-N 1 2 391.472 -1.419 20 0 GAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001097172500 1073458506 /nfs/dbraw/zinc/45/85/06/1073458506.db2.gz HZUMIABWNBZGOS-DGAVXFQQSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001097172500 1073458501 /nfs/dbraw/zinc/45/85/01/1073458501.db2.gz HZUMIABWNBZGOS-DGAVXFQQSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001097172501 1073458377 /nfs/dbraw/zinc/45/83/77/1073458377.db2.gz HZUMIABWNBZGOS-SYQHCUMBSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CC1=O ZINC001097172501 1073458372 /nfs/dbraw/zinc/45/83/72/1073458372.db2.gz HZUMIABWNBZGOS-SYQHCUMBSA-N 1 2 377.445 -1.855 20 0 GAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097214629 1073459224 /nfs/dbraw/zinc/45/92/24/1073459224.db2.gz ZFVNQHFDPGCQOJ-DGAVXFQQSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097214629 1073459219 /nfs/dbraw/zinc/45/92/19/1073459219.db2.gz ZFVNQHFDPGCQOJ-DGAVXFQQSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097214630 1073459260 /nfs/dbraw/zinc/45/92/60/1073459260.db2.gz ZFVNQHFDPGCQOJ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[C@H]1CCNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097214630 1073459254 /nfs/dbraw/zinc/45/92/54/1073459254.db2.gz ZFVNQHFDPGCQOJ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097252474 1073460048 /nfs/dbraw/zinc/46/00/48/1073460048.db2.gz MELNTUFWDMOCBT-SMRWVPHVSA-N 1 2 380.445 -1.530 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097252474 1073460041 /nfs/dbraw/zinc/46/00/41/1073460041.db2.gz MELNTUFWDMOCBT-SMRWVPHVSA-N 1 2 380.445 -1.530 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001097263837 1073460247 /nfs/dbraw/zinc/46/02/47/1073460247.db2.gz CZSNMGXKJSQTLJ-RQJABVFESA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001097263837 1073460241 /nfs/dbraw/zinc/46/02/41/1073460241.db2.gz CZSNMGXKJSQTLJ-RQJABVFESA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001097263838 1073460077 /nfs/dbraw/zinc/46/00/77/1073460077.db2.gz CZSNMGXKJSQTLJ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCNC1=O)C2)N1CCNC(=O)C1 ZINC001097263838 1073460069 /nfs/dbraw/zinc/46/00/69/1073460069.db2.gz CZSNMGXKJSQTLJ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097275689 1073460330 /nfs/dbraw/zinc/46/03/30/1073460330.db2.gz KNDVZOOBTJYYFS-UTUOFQBUSA-N 1 2 376.417 -1.283 20 0 GAADLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097275689 1073460323 /nfs/dbraw/zinc/46/03/23/1073460323.db2.gz KNDVZOOBTJYYFS-UTUOFQBUSA-N 1 2 376.417 -1.283 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(=O)N1)C2)N1CCNC(=O)C1 ZINC001097287843 1073460180 /nfs/dbraw/zinc/46/01/80/1073460180.db2.gz VPDLHVNSDUEXIU-SYQHCUMBSA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(=O)N1)C2)N1CCNC(=O)C1 ZINC001097287843 1073460175 /nfs/dbraw/zinc/46/01/75/1073460175.db2.gz VPDLHVNSDUEXIU-SYQHCUMBSA-N 1 2 377.445 -1.665 20 0 GAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)O1 ZINC001097323683 1073460921 /nfs/dbraw/zinc/46/09/21/1073460921.db2.gz HPQHBCAIWLRAOI-ARILJUKYSA-N 1 2 379.461 -1.021 20 0 GAADLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)O1 ZINC001097323683 1073460911 /nfs/dbraw/zinc/46/09/11/1073460911.db2.gz HPQHBCAIWLRAOI-ARILJUKYSA-N 1 2 379.461 -1.021 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001097398616 1073461161 /nfs/dbraw/zinc/46/11/61/1073461161.db2.gz BOMTUOMUHWRAIQ-DGAVXFQQSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001097398616 1073461151 /nfs/dbraw/zinc/46/11/51/1073461151.db2.gz BOMTUOMUHWRAIQ-DGAVXFQQSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001097398617 1073460852 /nfs/dbraw/zinc/46/08/52/1073460852.db2.gz BOMTUOMUHWRAIQ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C2)N1CCNC(=O)C1 ZINC001097398617 1073460848 /nfs/dbraw/zinc/46/08/48/1073460848.db2.gz BOMTUOMUHWRAIQ-SYQHCUMBSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001097573400 1073463859 /nfs/dbraw/zinc/46/38/59/1073463859.db2.gz VFROMICKGPUJPL-MQYQWHSLSA-N 1 2 381.458 -1.482 20 0 GAADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001097573400 1073463848 /nfs/dbraw/zinc/46/38/48/1073463848.db2.gz VFROMICKGPUJPL-MQYQWHSLSA-N 1 2 381.458 -1.482 20 0 GAADLO Cn1c[nH+]cc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C2 ZINC001097573467 1073463649 /nfs/dbraw/zinc/46/36/49/1073463649.db2.gz YOSXJDRTTZOUBS-ZZVYKPCYSA-N 1 2 381.458 -1.445 20 0 GAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001097575198 1073463944 /nfs/dbraw/zinc/46/39/44/1073463944.db2.gz UCRNFPURQSBPPO-SDFXEEBMSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001097575198 1073463930 /nfs/dbraw/zinc/46/39/30/1073463930.db2.gz UCRNFPURQSBPPO-SDFXEEBMSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001097575199 1073463983 /nfs/dbraw/zinc/46/39/83/1073463983.db2.gz UCRNFPURQSBPPO-ZIVKBKJYSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CNC(=O)C1 ZINC001097575199 1073463976 /nfs/dbraw/zinc/46/39/76/1073463976.db2.gz UCRNFPURQSBPPO-ZIVKBKJYSA-N 1 2 377.445 -1.808 20 0 GAADLO Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)c[nH]c1=O ZINC001097645920 1073466468 /nfs/dbraw/zinc/46/64/68/1073466468.db2.gz MHCSSRCQKABLLR-UTUOFQBUSA-N 1 2 376.417 -1.581 20 0 GAADLO Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)c[nH]c1=O ZINC001097645920 1073466463 /nfs/dbraw/zinc/46/64/63/1073466463.db2.gz MHCSSRCQKABLLR-UTUOFQBUSA-N 1 2 376.417 -1.581 20 0 GAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001097649716 1073465637 /nfs/dbraw/zinc/46/56/37/1073465637.db2.gz WNSFGIRNHDMONI-LPWJVIDDSA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001097649716 1073465630 /nfs/dbraw/zinc/46/56/30/1073465630.db2.gz WNSFGIRNHDMONI-LPWJVIDDSA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001097649717 1073465516 /nfs/dbraw/zinc/46/55/16/1073465516.db2.gz WNSFGIRNHDMONI-NDBYEHHHSA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)NC1=O ZINC001097649717 1073465512 /nfs/dbraw/zinc/46/55/12/1073465512.db2.gz WNSFGIRNHDMONI-NDBYEHHHSA-N 1 2 378.433 -2.310 20 0 GAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097662354 1073466345 /nfs/dbraw/zinc/46/63/45/1073466345.db2.gz DJPHHPYEPQABLY-MQYQWHSLSA-N 1 2 377.445 -1.713 20 0 GAADLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097662354 1073466339 /nfs/dbraw/zinc/46/63/39/1073466339.db2.gz DJPHHPYEPQABLY-MQYQWHSLSA-N 1 2 377.445 -1.713 20 0 GAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001097673514 1073466486 /nfs/dbraw/zinc/46/64/86/1073466486.db2.gz VJXJNRXNIYRTIC-RQJABVFESA-N 1 2 377.445 -1.855 20 0 GAADLO CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001097673514 1073466483 /nfs/dbraw/zinc/46/64/83/1073466483.db2.gz VJXJNRXNIYRTIC-RQJABVFESA-N 1 2 377.445 -1.855 20 0 GAADLO CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001097673516 1073466501 /nfs/dbraw/zinc/46/65/01/1073466501.db2.gz VJXJNRXNIYRTIC-SYQHCUMBSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1=O ZINC001097673516 1073466495 /nfs/dbraw/zinc/46/64/95/1073466495.db2.gz VJXJNRXNIYRTIC-SYQHCUMBSA-N 1 2 377.445 -1.855 20 0 GAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097700337 1073466219 /nfs/dbraw/zinc/46/62/19/1073466219.db2.gz DJPHHPYEPQABLY-YIYPIFLZSA-N 1 2 377.445 -1.713 20 0 GAADLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097700337 1073466212 /nfs/dbraw/zinc/46/62/12/1073466212.db2.gz DJPHHPYEPQABLY-YIYPIFLZSA-N 1 2 377.445 -1.713 20 0 GAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001097768073 1073467019 /nfs/dbraw/zinc/46/70/19/1073467019.db2.gz SBHQCDOXESDZSP-MCIONIFRSA-N 1 2 377.445 -1.726 20 0 GAADLO NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001097768073 1073467017 /nfs/dbraw/zinc/46/70/17/1073467017.db2.gz SBHQCDOXESDZSP-MCIONIFRSA-N 1 2 377.445 -1.726 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)[nH]c1=O ZINC001097787037 1073467188 /nfs/dbraw/zinc/46/71/88/1073467188.db2.gz RRTDBIVHJXOYBB-WZRBSPASSA-N 1 2 376.417 -1.581 20 0 GAADLO Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)[nH]c1=O ZINC001097787037 1073467182 /nfs/dbraw/zinc/46/71/82/1073467182.db2.gz RRTDBIVHJXOYBB-WZRBSPASSA-N 1 2 376.417 -1.581 20 0 GAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CCC(=O)N1 ZINC001097795879 1073466935 /nfs/dbraw/zinc/46/69/35/1073466935.db2.gz WYBNGIVLDUVIMC-SDFXEEBMSA-N 1 2 377.445 -1.665 20 0 GAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CCC(=O)N1 ZINC001097795879 1073466930 /nfs/dbraw/zinc/46/69/30/1073466930.db2.gz WYBNGIVLDUVIMC-SDFXEEBMSA-N 1 2 377.445 -1.665 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001097816702 1073467130 /nfs/dbraw/zinc/46/71/30/1073467130.db2.gz DFIMZHGAERXWQT-JLLWLGSASA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001097816702 1073467127 /nfs/dbraw/zinc/46/71/27/1073467127.db2.gz DFIMZHGAERXWQT-JLLWLGSASA-N 1 2 382.446 -1.329 20 0 GAADLO CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001097816839 1073467950 /nfs/dbraw/zinc/46/79/50/1073467950.db2.gz HCDGRTSGVSPKSJ-KXGXSXBTSA-N 1 2 382.446 -1.377 20 0 GAADLO CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001097816839 1073467946 /nfs/dbraw/zinc/46/79/46/1073467946.db2.gz HCDGRTSGVSPKSJ-KXGXSXBTSA-N 1 2 382.446 -1.377 20 0 GAADLO CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001097816840 1073467864 /nfs/dbraw/zinc/46/78/64/1073467864.db2.gz HCDGRTSGVSPKSJ-YJQGPUDQSA-N 1 2 382.446 -1.377 20 0 GAADLO CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)C3)C1=O ZINC001097816840 1073467858 /nfs/dbraw/zinc/46/78/58/1073467858.db2.gz HCDGRTSGVSPKSJ-YJQGPUDQSA-N 1 2 382.446 -1.377 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001097816909 1073468063 /nfs/dbraw/zinc/46/80/63/1073468063.db2.gz KMVYHKQNNSKMIW-JLLWLGSASA-N 1 2 382.446 -1.376 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001097816909 1073468058 /nfs/dbraw/zinc/46/80/58/1073468058.db2.gz KMVYHKQNNSKMIW-JLLWLGSASA-N 1 2 382.446 -1.376 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001097817088 1073468001 /nfs/dbraw/zinc/46/80/01/1073468001.db2.gz NXSGBTIXBMGILN-KXGXSXBTSA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001097817088 1073467995 /nfs/dbraw/zinc/46/79/95/1073467995.db2.gz NXSGBTIXBMGILN-KXGXSXBTSA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001097817089 1073468024 /nfs/dbraw/zinc/46/80/24/1073468024.db2.gz NXSGBTIXBMGILN-YJQGPUDQSA-N 1 2 382.446 -1.329 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001097817089 1073468015 /nfs/dbraw/zinc/46/80/15/1073468015.db2.gz NXSGBTIXBMGILN-YJQGPUDQSA-N 1 2 382.446 -1.329 20 0 GAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001097836811 1073467805 /nfs/dbraw/zinc/46/78/05/1073467805.db2.gz CSQCDBWNNQQGJA-SDFXEEBMSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001097836811 1073467801 /nfs/dbraw/zinc/46/78/01/1073467801.db2.gz CSQCDBWNNQQGJA-SDFXEEBMSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001097836812 1073468652 /nfs/dbraw/zinc/46/86/52/1073468652.db2.gz CSQCDBWNNQQGJA-ZIVKBKJYSA-N 1 2 377.445 -1.808 20 0 GAADLO C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)CCNC1=O ZINC001097836812 1073468647 /nfs/dbraw/zinc/46/86/47/1073468647.db2.gz CSQCDBWNNQQGJA-ZIVKBKJYSA-N 1 2 377.445 -1.808 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)O1 ZINC001097840839 1073468115 /nfs/dbraw/zinc/46/81/15/1073468115.db2.gz AWKPOMOLQRBAQV-PEBLQZBPSA-N 1 2 393.444 -2.301 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)O1 ZINC001097840839 1073468110 /nfs/dbraw/zinc/46/81/10/1073468110.db2.gz AWKPOMOLQRBAQV-PEBLQZBPSA-N 1 2 393.444 -2.301 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)O1 ZINC001097841449 1073467827 /nfs/dbraw/zinc/46/78/27/1073467827.db2.gz PDMVEIIVYVNKEB-NIFZNCRKSA-N 1 2 380.445 -1.400 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)O1 ZINC001097841449 1073467822 /nfs/dbraw/zinc/46/78/22/1073467822.db2.gz PDMVEIIVYVNKEB-NIFZNCRKSA-N 1 2 380.445 -1.400 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097854627 1073468702 /nfs/dbraw/zinc/46/87/02/1073468702.db2.gz MUPCAPBKQBNMSA-KHMAMNHCSA-N 1 2 391.472 -1.609 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001097854627 1073468694 /nfs/dbraw/zinc/46/86/94/1073468694.db2.gz MUPCAPBKQBNMSA-KHMAMNHCSA-N 1 2 391.472 -1.609 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001097863973 1073468862 /nfs/dbraw/zinc/46/88/62/1073468862.db2.gz FDAQSKRNKDBPCN-KHMAMNHCSA-N 1 2 391.472 -1.432 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCNC(=O)C2)C1 ZINC001097863973 1073468856 /nfs/dbraw/zinc/46/88/56/1073468856.db2.gz FDAQSKRNKDBPCN-KHMAMNHCSA-N 1 2 391.472 -1.432 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2)N1CCOCC1 ZINC001097942923 1073472663 /nfs/dbraw/zinc/47/26/63/1073472663.db2.gz NMZSIDTYOPDKTH-NDBYEHHHSA-N 1 2 379.417 -1.835 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C2)N1CCOCC1 ZINC001097942923 1073472654 /nfs/dbraw/zinc/47/26/54/1073472654.db2.gz NMZSIDTYOPDKTH-NDBYEHHHSA-N 1 2 379.417 -1.835 20 0 GAADLO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C2 ZINC001097969229 1073475642 /nfs/dbraw/zinc/47/56/42/1073475642.db2.gz MXXOMQKVPQQHGY-JLLWLGSASA-N 1 2 375.389 -1.543 20 0 GAADLO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C2 ZINC001097969229 1073475637 /nfs/dbraw/zinc/47/56/37/1073475637.db2.gz MXXOMQKVPQQHGY-JLLWLGSASA-N 1 2 375.389 -1.543 20 0 GAADLO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001098015163 1073483083 /nfs/dbraw/zinc/48/30/83/1073483083.db2.gz GFMDNHCPBNOIPB-MCIONIFRSA-N 1 2 377.449 -1.012 20 0 GAADLO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001098015163 1073483076 /nfs/dbraw/zinc/48/30/76/1073483076.db2.gz GFMDNHCPBNOIPB-MCIONIFRSA-N 1 2 377.449 -1.012 20 0 GAADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(C1)NC(=O)NC3=O)C2)NC1CC1 ZINC001098021351 1073500193 /nfs/dbraw/zinc/50/01/93/1073500193.db2.gz JEEDAXNYDSITAD-GNTREHPQSA-N 1 2 375.429 -1.025 20 0 GAADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(C1)NC(=O)NC3=O)C2)NC1CC1 ZINC001098021351 1073500179 /nfs/dbraw/zinc/50/01/79/1073500179.db2.gz JEEDAXNYDSITAD-GNTREHPQSA-N 1 2 375.429 -1.025 20 0 GAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001098024763 1073501085 /nfs/dbraw/zinc/50/10/85/1073501085.db2.gz WRWXISGUOGZDEW-DGAVXFQQSA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001098024763 1073501077 /nfs/dbraw/zinc/50/10/77/1073501077.db2.gz WRWXISGUOGZDEW-DGAVXFQQSA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001098024764 1073500910 /nfs/dbraw/zinc/50/09/10/1073500910.db2.gz WRWXISGUOGZDEW-SYQHCUMBSA-N 1 2 377.445 -1.665 20 0 GAADLO O=C(C[C@H]1CCC(=O)N1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001098024764 1073500905 /nfs/dbraw/zinc/50/09/05/1073500905.db2.gz WRWXISGUOGZDEW-SYQHCUMBSA-N 1 2 377.445 -1.665 20 0 GAADLO Cc1nonc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001098131289 1073538408 /nfs/dbraw/zinc/53/84/08/1073538408.db2.gz VPHSCILDPHQMCJ-BNOWGMLFSA-N 1 2 376.417 -1.400 20 0 GAADLO Cc1nonc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001098131289 1073538395 /nfs/dbraw/zinc/53/83/95/1073538395.db2.gz VPHSCILDPHQMCJ-BNOWGMLFSA-N 1 2 376.417 -1.400 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CN1C(=O)CCC1=O ZINC001098184583 1074917259 /nfs/dbraw/zinc/91/72/59/1074917259.db2.gz CQLUIRGWHXSYSH-LPWJVIDDSA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CN1C(=O)CCC1=O ZINC001098184583 1074917257 /nfs/dbraw/zinc/91/72/57/1074917257.db2.gz CQLUIRGWHXSYSH-LPWJVIDDSA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1C(=O)CCC1=O ZINC001098184584 1074917398 /nfs/dbraw/zinc/91/73/98/1074917398.db2.gz CQLUIRGWHXSYSH-XQHKEYJVSA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(Cc1nnc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1C(=O)CCC1=O ZINC001098184584 1074917396 /nfs/dbraw/zinc/91/73/96/1074917396.db2.gz CQLUIRGWHXSYSH-XQHKEYJVSA-N 1 2 376.417 -1.421 20 0 GAADLO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001098387547 1073546876 /nfs/dbraw/zinc/54/68/76/1073546876.db2.gz HLTRTTSQTCWHPX-KFWWJZLASA-N 1 2 382.490 -1.270 20 0 GAADLO O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001098387547 1073546867 /nfs/dbraw/zinc/54/68/67/1073546867.db2.gz HLTRTTSQTCWHPX-KFWWJZLASA-N 1 2 382.490 -1.270 20 0 GAADLO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2)C1CC1 ZINC001098461583 1073547853 /nfs/dbraw/zinc/54/78/53/1073547853.db2.gz HIYJUIQWGGBJHE-BZPMIXESSA-N 1 2 375.433 -1.281 20 0 GAADLO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2)C1CC1 ZINC001098461583 1073547847 /nfs/dbraw/zinc/54/78/47/1073547847.db2.gz HIYJUIQWGGBJHE-BZPMIXESSA-N 1 2 375.433 -1.281 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCCC2)nn1 ZINC001098461589 1073547745 /nfs/dbraw/zinc/54/77/45/1073547745.db2.gz HMEUYDIXJSNMBL-BZPMIXESSA-N 1 2 375.433 -1.279 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCCC2)nn1 ZINC001098461589 1073547738 /nfs/dbraw/zinc/54/77/38/1073547738.db2.gz HMEUYDIXJSNMBL-BZPMIXESSA-N 1 2 375.433 -1.279 20 0 GAADLO C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098463681 1073547770 /nfs/dbraw/zinc/54/77/70/1073547770.db2.gz BBKXJRKCLPBWJB-LHMODEAPSA-N 1 2 375.433 -1.234 20 0 GAADLO C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098463681 1073547763 /nfs/dbraw/zinc/54/77/63/1073547763.db2.gz BBKXJRKCLPBWJB-LHMODEAPSA-N 1 2 375.433 -1.234 20 0 GAADLO C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098463682 1073547691 /nfs/dbraw/zinc/54/76/91/1073547691.db2.gz BBKXJRKCLPBWJB-RSXIPKFTSA-N 1 2 375.433 -1.234 20 0 GAADLO C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001098463682 1073547681 /nfs/dbraw/zinc/54/76/81/1073547681.db2.gz BBKXJRKCLPBWJB-RSXIPKFTSA-N 1 2 375.433 -1.234 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)nn1 ZINC001098464137 1073547838 /nfs/dbraw/zinc/54/78/38/1073547838.db2.gz NLJMFMBEUICMSO-LSKIRQOJSA-N 1 2 375.389 -2.096 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)nn1 ZINC001098464137 1073547834 /nfs/dbraw/zinc/54/78/34/1073547834.db2.gz NLJMFMBEUICMSO-LSKIRQOJSA-N 1 2 375.389 -2.096 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001098464138 1073547931 /nfs/dbraw/zinc/54/79/31/1073547931.db2.gz NLJMFMBEUICMSO-PKZYVASSSA-N 1 2 375.389 -2.096 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)nn1 ZINC001098464138 1073547921 /nfs/dbraw/zinc/54/79/21/1073547921.db2.gz NLJMFMBEUICMSO-PKZYVASSSA-N 1 2 375.389 -2.096 20 0 GAADLO CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464477 1073548487 /nfs/dbraw/zinc/54/84/87/1073548487.db2.gz IRNMWNAUPAZIBK-BYNQJWBRSA-N 1 2 377.449 -1.164 20 0 GAADLO CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464477 1073548482 /nfs/dbraw/zinc/54/84/82/1073548482.db2.gz IRNMWNAUPAZIBK-BYNQJWBRSA-N 1 2 377.449 -1.164 20 0 GAADLO CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464478 1073548404 /nfs/dbraw/zinc/54/84/04/1073548404.db2.gz IRNMWNAUPAZIBK-SFTQSGBHSA-N 1 2 377.449 -1.164 20 0 GAADLO CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001098464478 1073548396 /nfs/dbraw/zinc/54/83/96/1073548396.db2.gz IRNMWNAUPAZIBK-SFTQSGBHSA-N 1 2 377.449 -1.164 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)nn1 ZINC001098464748 1073548742 /nfs/dbraw/zinc/54/87/42/1073548742.db2.gz WPKPUBOTBHCIMZ-MHDGFBEUSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)nn1 ZINC001098464748 1073548731 /nfs/dbraw/zinc/54/87/31/1073548731.db2.gz WPKPUBOTBHCIMZ-MHDGFBEUSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)nn1 ZINC001098464749 1073548686 /nfs/dbraw/zinc/54/86/86/1073548686.db2.gz WPKPUBOTBHCIMZ-RFHZTLPTSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)nn1 ZINC001098464749 1073548673 /nfs/dbraw/zinc/54/86/73/1073548673.db2.gz WPKPUBOTBHCIMZ-RFHZTLPTSA-N 1 2 375.433 -1.410 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C)nn1 ZINC001098464814 1073548578 /nfs/dbraw/zinc/54/85/78/1073548578.db2.gz ZULWBTWALXUKHA-BZPMIXESSA-N 1 2 377.449 -1.210 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C)nn1 ZINC001098464814 1073548571 /nfs/dbraw/zinc/54/85/71/1073548571.db2.gz ZULWBTWALXUKHA-BZPMIXESSA-N 1 2 377.449 -1.210 20 0 GAADLO NC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001098693872 1073550133 /nfs/dbraw/zinc/55/01/33/1073550133.db2.gz ZGIGJTYAEJDRJT-ATVPRXPUSA-N 1 2 378.433 -1.322 20 0 GAADLO NC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001098693873 1073550392 /nfs/dbraw/zinc/55/03/92/1073550392.db2.gz ZGIGJTYAEJDRJT-ZGMNHVEMSA-N 1 2 378.433 -1.322 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001099024872 1073551528 /nfs/dbraw/zinc/55/15/28/1073551528.db2.gz BVJSXGUEAWINBG-PXDYOCJYSA-N 1 2 378.433 -1.388 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001099024872 1073551519 /nfs/dbraw/zinc/55/15/19/1073551519.db2.gz BVJSXGUEAWINBG-PXDYOCJYSA-N 1 2 378.433 -1.388 20 0 GAADLO CNC(=O)Cc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001099030335 1073551399 /nfs/dbraw/zinc/55/13/99/1073551399.db2.gz GWSLZGHBYBSMQA-DBYGNECLSA-N 1 2 390.444 -1.050 20 0 GAADLO CNC(=O)Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001099030335 1073551384 /nfs/dbraw/zinc/55/13/84/1073551384.db2.gz GWSLZGHBYBSMQA-DBYGNECLSA-N 1 2 390.444 -1.050 20 0 GAADLO Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C(F)(F)F)nc1=O ZINC001099307023 1073551995 /nfs/dbraw/zinc/55/19/95/1073551995.db2.gz FQNSIJZBNQYHJC-BZNPZCIMSA-N 1 2 376.339 -1.291 20 0 GAADLO NC(=O)NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105285245 1073884320 /nfs/dbraw/zinc/88/43/20/1073884320.db2.gz JRQPVQNPCRIMKK-JYKNGBAOSA-N 1 2 389.416 -1.631 20 0 GAADLO C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1)C(N)=O ZINC001105289954 1073884771 /nfs/dbraw/zinc/88/47/71/1073884771.db2.gz MICZHKSWJVNKOC-FDRIWYBQSA-N 1 2 378.433 -1.324 20 0 GAADLO C[C@H]([NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1)C(N)=O ZINC001105289955 1073885067 /nfs/dbraw/zinc/88/50/67/1073885067.db2.gz MICZHKSWJVNKOC-LWWSYDQCSA-N 1 2 378.433 -1.324 20 0 GAADLO CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105289961 1073884742 /nfs/dbraw/zinc/88/47/42/1073884742.db2.gz MLSVKQGHYNBRPA-HZUKXOBISA-N 1 2 378.433 -1.452 20 0 GAADLO NC(=O)NC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 ZINC001105331555 1073887678 /nfs/dbraw/zinc/88/76/78/1073887678.db2.gz FNILFAJTRVXSDG-UPJWGTAASA-N 1 2 377.405 -1.487 20 0 GAADLO O=C(N[C@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001108555036 1074926423 /nfs/dbraw/zinc/92/64/23/1074926423.db2.gz DCTDMHWSXSLTEL-JHMDWKRSSA-N 1 2 379.457 -1.180 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCOCCO)C2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001108555037 1074926523 /nfs/dbraw/zinc/92/65/23/1074926523.db2.gz DCTDMHWSXSLTEL-OWGXSOMWSA-N 1 2 379.457 -1.180 20 0 GAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001108870946 1074928508 /nfs/dbraw/zinc/92/85/08/1074928508.db2.gz AEQFHODHHUNOOB-ILXRZTDVSA-N 1 2 381.477 -1.171 20 0 GAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001108870946 1074928507 /nfs/dbraw/zinc/92/85/07/1074928507.db2.gz AEQFHODHHUNOOB-ILXRZTDVSA-N 1 2 381.477 -1.171 20 0 GAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108906880 1074929073 /nfs/dbraw/zinc/92/90/73/1074929073.db2.gz WASVEZBTNGLVSJ-AGIUHOORSA-N 1 2 382.465 -1.639 20 0 GAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108906880 1074929071 /nfs/dbraw/zinc/92/90/71/1074929071.db2.gz WASVEZBTNGLVSJ-AGIUHOORSA-N 1 2 382.465 -1.639 20 0 GAADLO CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108910424 1074928870 /nfs/dbraw/zinc/92/88/70/1074928870.db2.gz OFKMFOKEKDSRGX-AGIUHOORSA-N 1 2 378.437 -1.124 20 0 GAADLO CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001108910424 1074928864 /nfs/dbraw/zinc/92/88/64/1074928864.db2.gz OFKMFOKEKDSRGX-AGIUHOORSA-N 1 2 378.437 -1.124 20 0 GAADLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108915827 1074929146 /nfs/dbraw/zinc/92/91/46/1074929146.db2.gz BXGHHRPBYGMBSS-RDBSUJKOSA-N 1 2 377.449 -1.232 20 0 GAADLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108915827 1074929140 /nfs/dbraw/zinc/92/91/40/1074929140.db2.gz BXGHHRPBYGMBSS-RDBSUJKOSA-N 1 2 377.449 -1.232 20 0 GAADLO Cn1cc(N2CC[C@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)cn1 ZINC001108917134 1074929063 /nfs/dbraw/zinc/92/90/63/1074929063.db2.gz RFMAIWCASIIYCV-SAXRGWBVSA-N 1 2 375.433 -1.085 20 0 GAADLO Cn1cc(N2CC[C@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)cn1 ZINC001108917134 1074929060 /nfs/dbraw/zinc/92/90/60/1074929060.db2.gz RFMAIWCASIIYCV-SAXRGWBVSA-N 1 2 375.433 -1.085 20 0 GAADLO Cn1cc(N2CC[C@@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)cn1 ZINC001108917135 1074929106 /nfs/dbraw/zinc/92/91/06/1074929106.db2.gz RFMAIWCASIIYCV-VZZFWQQMSA-N 1 2 375.433 -1.085 20 0 GAADLO Cn1cc(N2CC[C@@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)cn1 ZINC001108917135 1074929104 /nfs/dbraw/zinc/92/91/04/1074929104.db2.gz RFMAIWCASIIYCV-VZZFWQQMSA-N 1 2 375.433 -1.085 20 0 GAADLO COCCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108917222 1074929055 /nfs/dbraw/zinc/92/90/55/1074929055.db2.gz WCFCKZUKGSHYSO-AGIUHOORSA-N 1 2 376.479 -1.173 20 0 GAADLO COCCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108917222 1074929052 /nfs/dbraw/zinc/92/90/52/1074929052.db2.gz WCFCKZUKGSHYSO-AGIUHOORSA-N 1 2 376.479 -1.173 20 0 GAADLO Cn1ccc(N2CC[C@@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)n1 ZINC001108917240 1074929487 /nfs/dbraw/zinc/92/94/87/1074929487.db2.gz WNPOYBMYGANTPI-MROQNXINSA-N 1 2 375.433 -1.085 20 0 GAADLO Cn1ccc(N2CC[C@@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)n1 ZINC001108917240 1074929483 /nfs/dbraw/zinc/92/94/83/1074929483.db2.gz WNPOYBMYGANTPI-MROQNXINSA-N 1 2 375.433 -1.085 20 0 GAADLO Cn1ccc(N2CC[C@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)n1 ZINC001108917241 1074929454 /nfs/dbraw/zinc/92/94/54/1074929454.db2.gz WNPOYBMYGANTPI-VOAKCMCISA-N 1 2 375.433 -1.085 20 0 GAADLO Cn1ccc(N2CC[C@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CNC(N)=O)C4)C2=O)n1 ZINC001108917241 1074929452 /nfs/dbraw/zinc/92/94/52/1074929452.db2.gz WNPOYBMYGANTPI-VOAKCMCISA-N 1 2 375.433 -1.085 20 0 GAADLO O=C(CCn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001108935940 1074929473 /nfs/dbraw/zinc/92/94/73/1074929473.db2.gz KJFCMYGVKHVWGU-RDBSUJKOSA-N 1 2 375.433 -1.652 20 0 GAADLO O=C(CCn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001108935940 1074929468 /nfs/dbraw/zinc/92/94/68/1074929468.db2.gz KJFCMYGVKHVWGU-RDBSUJKOSA-N 1 2 375.433 -1.652 20 0 GAADLO O=C(CNC(=O)C1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001108989867 1074988919 /nfs/dbraw/zinc/98/89/19/1074988919.db2.gz BEJCBFIXVMTUNO-RDBSUJKOSA-N 1 2 377.445 -1.808 20 0 GAADLO O=C(CNC(=O)C1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001108989867 1074988913 /nfs/dbraw/zinc/98/89/13/1074988913.db2.gz BEJCBFIXVMTUNO-RDBSUJKOSA-N 1 2 377.445 -1.808 20 0 GAADLO CCCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109016821 1074989327 /nfs/dbraw/zinc/98/93/27/1074989327.db2.gz CVKWQCHOWJASAA-RDBSUJKOSA-N 1 2 379.461 -1.417 20 0 GAADLO CCCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109016821 1074989325 /nfs/dbraw/zinc/98/93/25/1074989325.db2.gz CVKWQCHOWJASAA-RDBSUJKOSA-N 1 2 379.461 -1.417 20 0 GAADLO CCNC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109061495 1074989596 /nfs/dbraw/zinc/98/95/96/1074989596.db2.gz NPUTXHPHSBDCCP-RDBSUJKOSA-N 1 2 379.461 -1.417 20 0 GAADLO CCNC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109061495 1074989594 /nfs/dbraw/zinc/98/95/94/1074989594.db2.gz NPUTXHPHSBDCCP-RDBSUJKOSA-N 1 2 379.461 -1.417 20 0 GAADLO 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-1.308 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001110110081 1075053747 /nfs/dbraw/zinc/05/37/47/1075053747.db2.gz ZYQXYWHAHOXCNE-WOPDTQHZSA-N 1 2 382.508 -1.852 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001110110081 1075053742 /nfs/dbraw/zinc/05/37/42/1075053742.db2.gz ZYQXYWHAHOXCNE-WOPDTQHZSA-N 1 2 382.508 -1.852 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001110112558 1075057494 /nfs/dbraw/zinc/05/74/94/1075057494.db2.gz GRKYOHVQWRCJBW-WOPDTQHZSA-N 1 2 382.508 -1.804 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001110112558 1075057491 /nfs/dbraw/zinc/05/74/91/1075057491.db2.gz GRKYOHVQWRCJBW-WOPDTQHZSA-N 1 2 382.508 -1.804 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110112627 1075057457 /nfs/dbraw/zinc/05/74/57/1075057457.db2.gz JEZPJYGSMSNNQF-NDBYEHHHSA-N 1 2 381.520 -1.062 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110112627 1075057454 /nfs/dbraw/zinc/05/74/54/1075057454.db2.gz JEZPJYGSMSNNQF-NDBYEHHHSA-N 1 2 381.520 -1.062 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110112628 1075057335 /nfs/dbraw/zinc/05/73/35/1075057335.db2.gz JEZPJYGSMSNNQF-RNJOBUHISA-N 1 2 381.520 -1.062 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110112628 1075057330 /nfs/dbraw/zinc/05/73/30/1075057330.db2.gz JEZPJYGSMSNNQF-RNJOBUHISA-N 1 2 381.520 -1.062 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001110112814 1075057627 /nfs/dbraw/zinc/05/76/27/1075057627.db2.gz QGXXZVMYYXETGP-VLEAKVRGSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001110112814 1075057624 /nfs/dbraw/zinc/05/76/24/1075057624.db2.gz QGXXZVMYYXETGP-VLEAKVRGSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001110112815 1075057643 /nfs/dbraw/zinc/05/76/43/1075057643.db2.gz QGXXZVMYYXETGP-ZNSHCXBVSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001110112815 1075057640 /nfs/dbraw/zinc/05/76/40/1075057640.db2.gz QGXXZVMYYXETGP-ZNSHCXBVSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001110120994 1075085372 /nfs/dbraw/zinc/08/53/72/1075085372.db2.gz GCGMFOOORKLIKE-RFGFWPKPSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001110120994 1075085367 /nfs/dbraw/zinc/08/53/67/1075085367.db2.gz GCGMFOOORKLIKE-RFGFWPKPSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001110120995 1075085423 /nfs/dbraw/zinc/08/54/23/1075085423.db2.gz GCGMFOOORKLIKE-ZOBORPQBSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001110120995 1075085420 /nfs/dbraw/zinc/08/54/20/1075085420.db2.gz GCGMFOOORKLIKE-ZOBORPQBSA-N 1 2 381.433 -1.589 20 0 GAADLO CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110138169 1075087491 /nfs/dbraw/zinc/08/74/91/1075087491.db2.gz HYIJUOPQTOILNK-VWYCJHECSA-N 1 2 375.451 -1.816 20 0 GAADLO CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110138169 1075087490 /nfs/dbraw/zinc/08/74/90/1075087490.db2.gz HYIJUOPQTOILNK-VWYCJHECSA-N 1 2 375.451 -1.816 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001110145313 1075088468 /nfs/dbraw/zinc/08/84/68/1075088468.db2.gz RFPBGBUQVGJJGE-VWYCJHECSA-N 1 2 378.393 -2.689 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001110145313 1075088462 /nfs/dbraw/zinc/08/84/62/1075088462.db2.gz RFPBGBUQVGJJGE-VWYCJHECSA-N 1 2 378.393 -2.689 20 0 GAADLO CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001110148193 1075088865 /nfs/dbraw/zinc/08/88/65/1075088865.db2.gz NBUUKXGCQBZAMF-RDBSUJKOSA-N 1 2 377.449 -1.358 20 0 GAADLO CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001110148193 1075088862 /nfs/dbraw/zinc/08/88/62/1075088862.db2.gz NBUUKXGCQBZAMF-RDBSUJKOSA-N 1 2 377.449 -1.358 20 0 GAADLO CNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110150592 1075088802 /nfs/dbraw/zinc/08/88/02/1075088802.db2.gz GDJDLOQXBGMOIL-WOPDTQHZSA-N 1 2 375.495 -1.035 20 0 GAADLO CNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110150592 1075088799 /nfs/dbraw/zinc/08/87/99/1075088799.db2.gz GDJDLOQXBGMOIL-WOPDTQHZSA-N 1 2 375.495 -1.035 20 0 GAADLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001110153074 1075088838 /nfs/dbraw/zinc/08/88/38/1075088838.db2.gz LIGJPEPIRVEQKJ-DYEKYZERSA-N 1 2 377.449 -1.163 20 0 GAADLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001110153074 1075088834 /nfs/dbraw/zinc/08/88/34/1075088834.db2.gz LIGJPEPIRVEQKJ-DYEKYZERSA-N 1 2 377.449 -1.163 20 0 GAADLO CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110153078 1075088933 /nfs/dbraw/zinc/08/89/33/1075088933.db2.gz LNWKLJDAIAGPRI-DYEKYZERSA-N 1 2 377.449 -1.129 20 0 GAADLO CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110153078 1075088930 /nfs/dbraw/zinc/08/89/30/1075088930.db2.gz LNWKLJDAIAGPRI-DYEKYZERSA-N 1 2 377.449 -1.129 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110153112 1075088825 /nfs/dbraw/zinc/08/88/25/1075088825.db2.gz NKUIBHBEJDGSSI-DKIAZLNASA-N 1 2 378.393 -2.318 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110153112 1075088822 /nfs/dbraw/zinc/08/88/22/1075088822.db2.gz NKUIBHBEJDGSSI-DKIAZLNASA-N 1 2 378.393 -2.318 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110153113 1075088750 /nfs/dbraw/zinc/08/87/50/1075088750.db2.gz NKUIBHBEJDGSSI-REIXXSIJSA-N 1 2 378.393 -2.318 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110153113 1075088747 /nfs/dbraw/zinc/08/87/47/1075088747.db2.gz NKUIBHBEJDGSSI-REIXXSIJSA-N 1 2 378.393 -2.318 20 0 GAADLO CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110154864 1075089163 /nfs/dbraw/zinc/08/91/63/1075089163.db2.gz LOTBKCPAQBOZCD-DYEKYZERSA-N 1 2 377.449 -1.035 20 0 GAADLO CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110154864 1075089160 /nfs/dbraw/zinc/08/91/60/1075089160.db2.gz LOTBKCPAQBOZCD-DYEKYZERSA-N 1 2 377.449 -1.035 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)nn1 ZINC001110154945 1075089171 /nfs/dbraw/zinc/08/91/71/1075089171.db2.gz PYMUMHNTZWZMHB-DYEKYZERSA-N 1 2 375.433 -1.375 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)nn1 ZINC001110154945 1075089168 /nfs/dbraw/zinc/08/91/68/1075089168.db2.gz PYMUMHNTZWZMHB-DYEKYZERSA-N 1 2 375.433 -1.375 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110155119 1075089147 /nfs/dbraw/zinc/08/91/47/1075089147.db2.gz YMGSFEXVGLIQHO-DYEKYZERSA-N 1 2 377.449 -1.033 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001110155119 1075089145 /nfs/dbraw/zinc/08/91/45/1075089145.db2.gz YMGSFEXVGLIQHO-DYEKYZERSA-N 1 2 377.449 -1.033 20 0 GAADLO CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110163392 1075091151 /nfs/dbraw/zinc/09/11/51/1075091151.db2.gz ZCPMVHBIEYVMFN-ILXRZTDVSA-N 1 2 382.461 -1.281 20 0 GAADLO CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110163392 1075091147 /nfs/dbraw/zinc/09/11/47/1075091147.db2.gz ZCPMVHBIEYVMFN-ILXRZTDVSA-N 1 2 382.461 -1.281 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001110167228 1075093434 /nfs/dbraw/zinc/09/34/34/1075093434.db2.gz YJWXXYZJVDHKCE-WOPDTQHZSA-N 1 2 378.433 -1.095 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001110167228 1075093429 /nfs/dbraw/zinc/09/34/29/1075093429.db2.gz YJWXXYZJVDHKCE-WOPDTQHZSA-N 1 2 378.433 -1.095 20 0 GAADLO COCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110181964 1075303990 /nfs/dbraw/zinc/30/39/90/1075303990.db2.gz USPNKYIMKXRGCW-ILXRZTDVSA-N 1 2 382.461 -1.281 20 0 GAADLO COCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110181964 1075303984 /nfs/dbraw/zinc/30/39/84/1075303984.db2.gz USPNKYIMKXRGCW-ILXRZTDVSA-N 1 2 382.461 -1.281 20 0 GAADLO C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001110197272 1075307724 /nfs/dbraw/zinc/30/77/24/1075307724.db2.gz RELYIGIWTZNPCK-CRWXNKLISA-N 1 2 381.477 -1.044 20 0 GAADLO C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001110197272 1075307717 /nfs/dbraw/zinc/30/77/17/1075307717.db2.gz RELYIGIWTZNPCK-CRWXNKLISA-N 1 2 381.477 -1.044 20 0 GAADLO C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001110197273 1075307758 /nfs/dbraw/zinc/30/77/58/1075307758.db2.gz RELYIGIWTZNPCK-MQYQWHSLSA-N 1 2 381.477 -1.044 20 0 GAADLO C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001110197273 1075307756 /nfs/dbraw/zinc/30/77/56/1075307756.db2.gz RELYIGIWTZNPCK-MQYQWHSLSA-N 1 2 381.477 -1.044 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)[C@H]1CCCO1)C2 ZINC001110200522 1075309515 /nfs/dbraw/zinc/30/95/15/1075309515.db2.gz LJDYHMLMCKRXBY-MROQNXINSA-N 1 2 381.433 -1.412 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)[C@H]1CCCO1)C2 ZINC001110200522 1075309510 /nfs/dbraw/zinc/30/95/10/1075309510.db2.gz LJDYHMLMCKRXBY-MROQNXINSA-N 1 2 381.433 -1.412 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCO1)C2 ZINC001110200523 1075309599 /nfs/dbraw/zinc/30/95/99/1075309599.db2.gz LJDYHMLMCKRXBY-VOAKCMCISA-N 1 2 381.433 -1.412 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCO1)C2 ZINC001110200523 1075309595 /nfs/dbraw/zinc/30/95/95/1075309595.db2.gz LJDYHMLMCKRXBY-VOAKCMCISA-N 1 2 381.433 -1.412 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001110216372 1075312791 /nfs/dbraw/zinc/31/27/91/1075312791.db2.gz LJQHWFDLQMABKP-CRWXNKLISA-N 1 2 380.445 -1.087 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001110216372 1075312787 /nfs/dbraw/zinc/31/27/87/1075312787.db2.gz LJQHWFDLQMABKP-CRWXNKLISA-N 1 2 380.445 -1.087 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001110216373 1075312815 /nfs/dbraw/zinc/31/28/15/1075312815.db2.gz LJQHWFDLQMABKP-MQYQWHSLSA-N 1 2 380.445 -1.087 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001110216373 1075312813 /nfs/dbraw/zinc/31/28/13/1075312813.db2.gz LJQHWFDLQMABKP-MQYQWHSLSA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001110216494 1075312912 /nfs/dbraw/zinc/31/29/12/1075312912.db2.gz QIJCWIIBJCVVOR-CRWXNKLISA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001110216494 1075312908 /nfs/dbraw/zinc/31/29/08/1075312908.db2.gz QIJCWIIBJCVVOR-CRWXNKLISA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001110216495 1075312836 /nfs/dbraw/zinc/31/28/36/1075312836.db2.gz QIJCWIIBJCVVOR-MQYQWHSLSA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001110216495 1075312832 /nfs/dbraw/zinc/31/28/32/1075312832.db2.gz QIJCWIIBJCVVOR-MQYQWHSLSA-N 1 2 380.445 -1.087 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001110216540 1075312890 /nfs/dbraw/zinc/31/28/90/1075312890.db2.gz SWLWNXLCNKUGJK-USZNOCQGSA-N 1 2 379.417 -1.394 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001110216540 1075312886 /nfs/dbraw/zinc/31/28/86/1075312886.db2.gz SWLWNXLCNKUGJK-USZNOCQGSA-N 1 2 379.417 -1.394 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001110216541 1075312806 /nfs/dbraw/zinc/31/28/06/1075312806.db2.gz SWLWNXLCNKUGJK-WYUUTHIRSA-N 1 2 379.417 -1.394 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001110216541 1075312802 /nfs/dbraw/zinc/31/28/02/1075312802.db2.gz SWLWNXLCNKUGJK-WYUUTHIRSA-N 1 2 379.417 -1.394 20 0 GAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(C)=O)C2 ZINC001110244182 1075330068 /nfs/dbraw/zinc/33/00/68/1075330068.db2.gz 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1 2 379.421 -1.157 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCS(=O)(=O)NC)C2 ZINC001110550545 1075419595 /nfs/dbraw/zinc/41/95/95/1075419595.db2.gz VANIIPUMOVUNDN-MXWKQRLJSA-N 1 2 375.451 -1.897 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCS(=O)(=O)NC)C2 ZINC001110550545 1075419592 /nfs/dbraw/zinc/41/95/92/1075419592.db2.gz VANIIPUMOVUNDN-MXWKQRLJSA-N 1 2 375.451 -1.897 20 0 GAADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1)NC(N)=O ZINC001110557194 1075422497 /nfs/dbraw/zinc/42/24/97/1075422497.db2.gz HPFLUZUPWHTSGL-LOWDOPEQSA-N 1 2 380.449 -1.887 20 0 GAADLO C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1)NC(N)=O ZINC001110557194 1075422494 /nfs/dbraw/zinc/42/24/94/1075422494.db2.gz HPFLUZUPWHTSGL-LOWDOPEQSA-N 1 2 380.449 -1.887 20 0 GAADLO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1)NC(N)=O ZINC001110557195 1075422475 /nfs/dbraw/zinc/42/24/75/1075422475.db2.gz HPFLUZUPWHTSGL-LPWJVIDDSA-N 1 2 380.449 -1.887 20 0 GAADLO C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1)NC(N)=O ZINC001110557195 1075422473 /nfs/dbraw/zinc/42/24/73/1075422473.db2.gz HPFLUZUPWHTSGL-LPWJVIDDSA-N 1 2 380.449 -1.887 20 0 GAADLO O=C(CO[C@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110560045 1075423496 /nfs/dbraw/zinc/42/34/96/1075423496.db2.gz VYBDWFRMRHYVBU-BARDWOONSA-N 1 2 380.445 -1.528 20 0 GAADLO O=C(CO[C@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110560045 1075423492 /nfs/dbraw/zinc/42/34/92/1075423492.db2.gz VYBDWFRMRHYVBU-BARDWOONSA-N 1 2 380.445 -1.528 20 0 GAADLO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110560046 1075423486 /nfs/dbraw/zinc/42/34/86/1075423486.db2.gz VYBDWFRMRHYVBU-TUVASFSCSA-N 1 2 380.445 -1.528 20 0 GAADLO O=C(CO[C@@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110560046 1075423482 /nfs/dbraw/zinc/42/34/82/1075423482.db2.gz VYBDWFRMRHYVBU-TUVASFSCSA-N 1 2 380.445 -1.528 20 0 GAADLO CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110566619 1075424106 /nfs/dbraw/zinc/42/41/06/1075424106.db2.gz AUGKBHZUCNBJKT-UPJWGTAASA-N 1 2 378.437 -1.124 20 0 GAADLO CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001110566619 1075424099 /nfs/dbraw/zinc/42/40/99/1075424099.db2.gz AUGKBHZUCNBJKT-UPJWGTAASA-N 1 2 378.437 -1.124 20 0 GAADLO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1=O ZINC001110568500 1075424640 /nfs/dbraw/zinc/42/46/40/1075424640.db2.gz VNGZYGVIJBHTBM-MXWKQRLJSA-N 1 2 379.417 -1.312 20 0 GAADLO CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1=O ZINC001110568500 1075424633 /nfs/dbraw/zinc/42/46/33/1075424633.db2.gz VNGZYGVIJBHTBM-MXWKQRLJSA-N 1 2 379.417 -1.312 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C2 ZINC001110576604 1075425940 /nfs/dbraw/zinc/42/59/40/1075425940.db2.gz RHVZWJMSUCKNMJ-BBBLOLIVSA-N 1 2 378.393 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GAADLO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110583868 1075425822 /nfs/dbraw/zinc/42/58/22/1075425822.db2.gz PFRGHXJJIISTRF-DBIOUOCHSA-N 1 2 375.451 -1.769 20 0 GAADLO CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110583868 1075425816 /nfs/dbraw/zinc/42/58/16/1075425816.db2.gz PFRGHXJJIISTRF-DBIOUOCHSA-N 1 2 375.451 -1.769 20 0 GAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110583869 1075425711 /nfs/dbraw/zinc/42/57/11/1075425711.db2.gz PFRGHXJJIISTRF-ZDCRXTMVSA-N 1 2 375.451 -1.769 20 0 GAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110583869 1075425709 /nfs/dbraw/zinc/42/57/09/1075425709.db2.gz PFRGHXJJIISTRF-ZDCRXTMVSA-N 1 2 375.451 -1.769 20 0 GAADLO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110586185 1075426786 /nfs/dbraw/zinc/42/67/86/1075426786.db2.gz PWVKSZNXLYCDGF-LOWDOPEQSA-N 1 2 376.479 -1.592 20 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GAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110589042 1075426767 /nfs/dbraw/zinc/42/67/67/1075426767.db2.gz XQBCZRQMJRSABA-SYQHCUMBSA-N 1 2 379.461 -1.419 20 0 GAADLO CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001110589042 1075426763 /nfs/dbraw/zinc/42/67/63/1075426763.db2.gz XQBCZRQMJRSABA-SYQHCUMBSA-N 1 2 379.461 -1.419 20 0 GAADLO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110589836 1075427268 /nfs/dbraw/zinc/42/72/68/1075427268.db2.gz IMVRRCDBVHSKED-TUVASFSCSA-N 1 2 382.461 -1.282 20 0 GAADLO COCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110589836 1075427262 /nfs/dbraw/zinc/42/72/62/1075427262.db2.gz IMVRRCDBVHSKED-TUVASFSCSA-N 1 2 382.461 -1.282 20 0 GAADLO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110589837 1075427218 /nfs/dbraw/zinc/42/72/18/1075427218.db2.gz IMVRRCDBVHSKED-YJNKXOJESA-N 1 2 382.461 -1.282 20 0 GAADLO COCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110589837 1075427210 /nfs/dbraw/zinc/42/72/10/1075427210.db2.gz IMVRRCDBVHSKED-YJNKXOJESA-N 1 2 382.461 -1.282 20 0 GAADLO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)n1 ZINC001110591856 1075427154 /nfs/dbraw/zinc/42/71/54/1075427154.db2.gz BYYIFTBBCIKJPJ-MXWKQRLJSA-N 1 2 378.437 -1.113 20 0 GAADLO CC(C)(C)n1nnc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)n1 ZINC001110591856 1075427151 /nfs/dbraw/zinc/42/71/51/1075427151.db2.gz BYYIFTBBCIKJPJ-MXWKQRLJSA-N 1 2 378.437 -1.113 20 0 GAADLO COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001110592191 1075427184 /nfs/dbraw/zinc/42/71/84/1075427184.db2.gz RFPDCJBTOBHAIL-BARDWOONSA-N 1 2 376.475 -1.224 20 0 GAADLO COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001110592191 1075427182 /nfs/dbraw/zinc/42/71/82/1075427182.db2.gz RFPDCJBTOBHAIL-BARDWOONSA-N 1 2 376.475 -1.224 20 0 GAADLO COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001110592192 1075427194 /nfs/dbraw/zinc/42/71/94/1075427194.db2.gz RFPDCJBTOBHAIL-TUVASFSCSA-N 1 2 376.475 -1.224 20 0 GAADLO COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CS(=O)(=O)C1)C2 ZINC001110592192 1075427191 /nfs/dbraw/zinc/42/71/91/1075427191.db2.gz RFPDCJBTOBHAIL-TUVASFSCSA-N 1 2 376.475 -1.224 20 0 GAADLO COCCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)CC1=O ZINC001110615492 1075435108 /nfs/dbraw/zinc/43/51/08/1075435108.db2.gz UPORHKSJNDLVSK-LOWDOPEQSA-N 1 2 381.433 -1.602 20 0 GAADLO COCCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)CC1=O ZINC001110615492 1075435104 /nfs/dbraw/zinc/43/51/04/1075435104.db2.gz UPORHKSJNDLVSK-LOWDOPEQSA-N 1 2 381.433 -1.602 20 0 GAADLO COCCN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)CC1=O ZINC001110615493 1075435586 /nfs/dbraw/zinc/43/55/86/1075435586.db2.gz UPORHKSJNDLVSK-LPWJVIDDSA-N 1 2 381.433 -1.602 20 0 GAADLO 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CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001110669428 1075446062 /nfs/dbraw/zinc/44/60/62/1075446062.db2.gz IXMSRCYOWWQXKG-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001110669484 1075446167 /nfs/dbraw/zinc/44/61/67/1075446167.db2.gz LYKXLXNNROCJEY-KFWWJZLASA-N 1 2 382.461 -1.281 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC001110669484 1075446162 /nfs/dbraw/zinc/44/61/62/1075446162.db2.gz LYKXLXNNROCJEY-KFWWJZLASA-N 1 2 382.461 -1.281 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001110678232 1075446709 /nfs/dbraw/zinc/44/67/09/1075446709.db2.gz OPCDRUUXDINRNE-NDBYEHHHSA-N 1 2 381.433 -1.541 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001110678232 1075446706 /nfs/dbraw/zinc/44/67/06/1075446706.db2.gz OPCDRUUXDINRNE-NDBYEHHHSA-N 1 2 381.433 -1.541 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001110678247 1075446668 /nfs/dbraw/zinc/44/66/68/1075446668.db2.gz PFNCCXPHHTXMDP-NDBYEHHHSA-N 1 2 381.433 -1.541 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001110678247 1075446665 /nfs/dbraw/zinc/44/66/65/1075446665.db2.gz PFNCCXPHHTXMDP-NDBYEHHHSA-N 1 2 381.433 -1.541 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001110678302 1075446610 /nfs/dbraw/zinc/44/66/10/1075446610.db2.gz RHAVWXNHQIZPTK-ZNSHCXBVSA-N 1 2 380.405 -1.848 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC001110678302 1075446607 /nfs/dbraw/zinc/44/66/07/1075446607.db2.gz RHAVWXNHQIZPTK-ZNSHCXBVSA-N 1 2 380.405 -1.848 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001110681226 1075447229 /nfs/dbraw/zinc/44/72/29/1075447229.db2.gz FISSTWCSEFUGNX-WZRBSPASSA-N 1 2 376.417 -1.039 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001110681226 1075447226 /nfs/dbraw/zinc/44/72/26/1075447226.db2.gz FISSTWCSEFUGNX-WZRBSPASSA-N 1 2 376.417 -1.039 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001110682854 1075447129 /nfs/dbraw/zinc/44/71/29/1075447129.db2.gz GBBIRSCBMNIDAG-UZWSLXQKSA-N 1 2 376.417 -1.041 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001110682854 1075447125 /nfs/dbraw/zinc/44/71/25/1075447125.db2.gz GBBIRSCBMNIDAG-UZWSLXQKSA-N 1 2 376.417 -1.041 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001110682855 1075447193 /nfs/dbraw/zinc/44/71/93/1075447193.db2.gz GBBIRSCBMNIDAG-WGBDABJCSA-N 1 2 376.417 -1.041 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001110682855 1075447191 /nfs/dbraw/zinc/44/71/91/1075447191.db2.gz GBBIRSCBMNIDAG-WGBDABJCSA-N 1 2 376.417 -1.041 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001110734163 1075453413 /nfs/dbraw/zinc/45/34/13/1075453413.db2.gz APRXGMFBIBPRHE-KFWWJZLASA-N 1 2 379.461 -1.514 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001110734163 1075453411 /nfs/dbraw/zinc/45/34/11/1075453411.db2.gz APRXGMFBIBPRHE-KFWWJZLASA-N 1 2 379.461 -1.514 20 0 GAADLO CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734250 1075453422 /nfs/dbraw/zinc/45/34/22/1075453422.db2.gz FDTZDSGJHZTYEA-KFWWJZLASA-N 1 2 381.477 -1.124 20 0 GAADLO CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734250 1075453420 /nfs/dbraw/zinc/45/34/20/1075453420.db2.gz FDTZDSGJHZTYEA-KFWWJZLASA-N 1 2 381.477 -1.124 20 0 GAADLO CC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734260 1075453467 /nfs/dbraw/zinc/45/34/67/1075453467.db2.gz FNPRUVAMBHNYRK-MYPMTAMASA-N 1 2 381.477 -1.125 20 0 GAADLO CC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734260 1075453464 /nfs/dbraw/zinc/45/34/64/1075453464.db2.gz FNPRUVAMBHNYRK-MYPMTAMASA-N 1 2 381.477 -1.125 20 0 GAADLO CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734261 1075454002 /nfs/dbraw/zinc/45/40/02/1075454002.db2.gz FNPRUVAMBHNYRK-NGFQHRJXSA-N 1 2 381.477 -1.125 20 0 GAADLO CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734261 1075454000 /nfs/dbraw/zinc/45/40/00/1075454000.db2.gz FNPRUVAMBHNYRK-NGFQHRJXSA-N 1 2 381.477 -1.125 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001110734313 1075454009 /nfs/dbraw/zinc/45/40/09/1075454009.db2.gz HYNQFVJKRFCFDY-KFWWJZLASA-N 1 2 381.477 -1.268 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001110734313 1075454007 /nfs/dbraw/zinc/45/40/07/1075454007.db2.gz HYNQFVJKRFCFDY-KFWWJZLASA-N 1 2 381.477 -1.268 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734545 1075454019 /nfs/dbraw/zinc/45/40/19/1075454019.db2.gz ULQNSVDDWALTEH-UTUOFQBUSA-N 1 2 382.421 -2.584 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734545 1075454016 /nfs/dbraw/zinc/45/40/16/1075454016.db2.gz ULQNSVDDWALTEH-UTUOFQBUSA-N 1 2 382.421 -2.584 20 0 GAADLO CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734610 1075453939 /nfs/dbraw/zinc/45/39/39/1075453939.db2.gz XUGOENQIUWQEIP-YUELXQCFSA-N 1 2 377.449 -1.228 20 0 GAADLO CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CNC(C)=O)C2 ZINC001110734610 1075453936 /nfs/dbraw/zinc/45/39/36/1075453936.db2.gz XUGOENQIUWQEIP-YUELXQCFSA-N 1 2 377.449 -1.228 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC3N=NC(=O)N3C1)C2 ZINC001110735087 1075452806 /nfs/dbraw/zinc/45/28/06/1075452806.db2.gz UHOMMAAGGMRMSR-DBIOUOCHSA-N 1 2 377.405 -1.538 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC3N=NC(=O)N3C1)C2 ZINC001110735087 1075452803 /nfs/dbraw/zinc/45/28/03/1075452803.db2.gz UHOMMAAGGMRMSR-DBIOUOCHSA-N 1 2 377.405 -1.538 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC3N=NC(=O)N3C1)C2 ZINC001110735088 1075452738 /nfs/dbraw/zinc/45/27/38/1075452738.db2.gz UHOMMAAGGMRMSR-ZDCRXTMVSA-N 1 2 377.405 -1.538 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC3N=NC(=O)N3C1)C2 ZINC001110735088 1075452735 /nfs/dbraw/zinc/45/27/35/1075452735.db2.gz UHOMMAAGGMRMSR-ZDCRXTMVSA-N 1 2 377.405 -1.538 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001110741301 1075454843 /nfs/dbraw/zinc/45/48/43/1075454843.db2.gz ZXFPXWRCIKFZJA-UPJWGTAASA-N 1 2 380.449 -2.063 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001110741301 1075454840 /nfs/dbraw/zinc/45/48/40/1075454840.db2.gz ZXFPXWRCIKFZJA-UPJWGTAASA-N 1 2 380.449 -2.063 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744442 1075455388 /nfs/dbraw/zinc/45/53/88/1075455388.db2.gz AUOLOGGJEHUULY-MCIONIFRSA-N 1 2 380.449 -1.544 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744442 1075455383 /nfs/dbraw/zinc/45/53/83/1075455383.db2.gz AUOLOGGJEHUULY-MCIONIFRSA-N 1 2 380.449 -1.544 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744789 1075455333 /nfs/dbraw/zinc/45/53/33/1075455333.db2.gz PMTBQJPQBQRAEL-UTUOFQBUSA-N 1 2 379.421 -1.851 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744789 1075455327 /nfs/dbraw/zinc/45/53/27/1075455327.db2.gz PMTBQJPQBQRAEL-UTUOFQBUSA-N 1 2 379.421 -1.851 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744943 1075455258 /nfs/dbraw/zinc/45/52/58/1075455258.db2.gz VQGRFENIHJGUPJ-MCIONIFRSA-N 1 2 380.449 -1.544 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncn(C)c1=O)C2 ZINC001110744943 1075455253 /nfs/dbraw/zinc/45/52/53/1075455253.db2.gz VQGRFENIHJGUPJ-MCIONIFRSA-N 1 2 380.449 -1.544 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750776 1075455894 /nfs/dbraw/zinc/45/58/94/1075455894.db2.gz AFLWYVRTHSQLPV-JLIMGVALSA-N 1 2 375.376 -1.067 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750776 1075455890 /nfs/dbraw/zinc/45/58/90/1075455890.db2.gz AFLWYVRTHSQLPV-JLIMGVALSA-N 1 2 375.376 -1.067 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750777 1075455727 /nfs/dbraw/zinc/45/57/27/1075455727.db2.gz AFLWYVRTHSQLPV-KYXWUPHJSA-N 1 2 375.376 -1.067 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)F)C2 ZINC001110750777 1075455725 /nfs/dbraw/zinc/45/57/25/1075455725.db2.gz AFLWYVRTHSQLPV-KYXWUPHJSA-N 1 2 375.376 -1.067 20 0 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/nfs/dbraw/zinc/73/68/95/1075736895.db2.gz FUKCUDWAGCNCTG-TUVASFSCSA-N 1 2 379.461 -1.243 20 0 GAADLO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111153457 1075736934 /nfs/dbraw/zinc/73/69/34/1075736934.db2.gz LFVDFPHDXAVNOL-KKOKHZNYSA-N 1 2 382.421 -2.327 20 0 GAADLO CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111153457 1075736932 /nfs/dbraw/zinc/73/69/32/1075736932.db2.gz LFVDFPHDXAVNOL-KKOKHZNYSA-N 1 2 382.421 -2.327 20 0 GAADLO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111153458 1075736965 /nfs/dbraw/zinc/73/69/65/1075736965.db2.gz LFVDFPHDXAVNOL-KXNHARMFSA-N 1 2 382.421 -2.327 20 0 GAADLO CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111153458 1075736962 /nfs/dbraw/zinc/73/69/62/1075736962.db2.gz LFVDFPHDXAVNOL-KXNHARMFSA-N 1 2 382.421 -2.327 20 0 GAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111156375 1075737504 /nfs/dbraw/zinc/73/75/04/1075737504.db2.gz YKRGMNFUWOVGEZ-MCIONIFRSA-N 1 2 379.461 -1.419 20 0 GAADLO CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111156375 1075737501 /nfs/dbraw/zinc/73/75/01/1075737501.db2.gz YKRGMNFUWOVGEZ-MCIONIFRSA-N 1 2 379.461 -1.419 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111158747 1075738066 /nfs/dbraw/zinc/73/80/66/1075738066.db2.gz BEGQWMDBCGDFFY-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111158747 1075738064 /nfs/dbraw/zinc/73/80/64/1075738064.db2.gz BEGQWMDBCGDFFY-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001111158774 1075738086 /nfs/dbraw/zinc/73/80/86/1075738086.db2.gz CCEWPHFCMXBNJQ-BNOWGMLFSA-N 1 2 376.417 -1.198 20 0 GAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111158774 1075738083 /nfs/dbraw/zinc/73/80/83/1075738083.db2.gz CCEWPHFCMXBNJQ-BNOWGMLFSA-N 1 2 376.417 -1.198 20 0 GAADLO COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)C2 ZINC001111158849 1075738155 /nfs/dbraw/zinc/73/81/55/1075738155.db2.gz GMDCFIPKCFJLHI-OXHZDVMGSA-N 1 2 376.417 -1.200 20 0 GAADLO COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)C2 ZINC001111158849 1075738152 /nfs/dbraw/zinc/73/81/52/1075738152.db2.gz GMDCFIPKCFJLHI-OXHZDVMGSA-N 1 2 376.417 -1.200 20 0 GAADLO COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)C2 ZINC001111158850 1075738179 /nfs/dbraw/zinc/73/81/79/1075738179.db2.gz GMDCFIPKCFJLHI-WVWOOGAGSA-N 1 2 376.417 -1.200 20 0 GAADLO COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)C2 ZINC001111158850 1075738176 /nfs/dbraw/zinc/73/81/76/1075738176.db2.gz GMDCFIPKCFJLHI-WVWOOGAGSA-N 1 2 376.417 -1.200 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111158984 1075738051 /nfs/dbraw/zinc/73/80/51/1075738051.db2.gz NMNKTYIBJSKDTE-MXWKQRLJSA-N 1 2 380.405 -1.895 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111158984 1075738046 /nfs/dbraw/zinc/73/80/46/1075738046.db2.gz NMNKTYIBJSKDTE-MXWKQRLJSA-N 1 2 380.405 -1.895 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111159013 1075738164 /nfs/dbraw/zinc/73/81/64/1075738164.db2.gz OWPJDJLAQKMRGQ-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CC(=O)NC1=O)C2 ZINC001111159013 1075738162 /nfs/dbraw/zinc/73/81/62/1075738162.db2.gz OWPJDJLAQKMRGQ-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CCOCC1)C2 ZINC001111164384 1075739352 /nfs/dbraw/zinc/73/93/52/1075739352.db2.gz WWAXRYKMTYIURK-UPJWGTAASA-N 1 2 381.433 -1.554 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CCOCC1)C2 ZINC001111164384 1075739351 /nfs/dbraw/zinc/73/93/51/1075739351.db2.gz WWAXRYKMTYIURK-UPJWGTAASA-N 1 2 381.433 -1.554 20 0 GAADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111177426 1075743503 /nfs/dbraw/zinc/74/35/03/1075743503.db2.gz BBHZTBUXPCGBJQ-IEBDPFPHSA-N 1 2 378.389 -1.345 20 0 GAADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111177426 1075743499 /nfs/dbraw/zinc/74/34/99/1075743499.db2.gz BBHZTBUXPCGBJQ-IEBDPFPHSA-N 1 2 378.389 -1.345 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111181816 1075744387 /nfs/dbraw/zinc/74/43/87/1075744387.db2.gz OTITUDGUDLNGQO-UPJWGTAASA-N 1 2 376.421 -1.227 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111181816 1075744381 /nfs/dbraw/zinc/74/43/81/1075744381.db2.gz OTITUDGUDLNGQO-UPJWGTAASA-N 1 2 376.421 -1.227 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111182016 1075744511 /nfs/dbraw/zinc/74/45/11/1075744511.db2.gz YGYBDVQYRKEYPL-UPJWGTAASA-N 1 2 376.421 -2.257 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111182016 1075744508 /nfs/dbraw/zinc/74/45/08/1075744508.db2.gz YGYBDVQYRKEYPL-UPJWGTAASA-N 1 2 376.421 -2.257 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111182992 1075744753 /nfs/dbraw/zinc/74/47/53/1075744753.db2.gz KIYNWXDWXDKTGN-TUVASFSCSA-N 1 2 377.449 -1.063 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111182992 1075744744 /nfs/dbraw/zinc/74/47/44/1075744744.db2.gz KIYNWXDWXDKTGN-TUVASFSCSA-N 1 2 377.449 -1.063 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111182993 1075744701 /nfs/dbraw/zinc/74/47/01/1075744701.db2.gz KIYNWXDWXDKTGN-YJNKXOJESA-N 1 2 377.449 -1.063 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111182993 1075744696 /nfs/dbraw/zinc/74/46/96/1075744696.db2.gz KIYNWXDWXDKTGN-YJNKXOJESA-N 1 2 377.449 -1.063 20 0 GAADLO Cc1cc(C)n(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)c(=O)n1 ZINC001111187044 1075745936 /nfs/dbraw/zinc/74/59/36/1075745936.db2.gz FRXMGIUMLGNHDO-UPJWGTAASA-N 1 2 376.417 -1.223 20 0 GAADLO Cc1cc(C)n(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)c(=O)n1 ZINC001111187044 1075745932 /nfs/dbraw/zinc/74/59/32/1075745932.db2.gz FRXMGIUMLGNHDO-UPJWGTAASA-N 1 2 376.417 -1.223 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001111194040 1075747732 /nfs/dbraw/zinc/74/77/32/1075747732.db2.gz SZAZRUHQBZPUPH-BGZDPUMWSA-N 1 2 379.339 -1.030 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001111194040 1075747730 /nfs/dbraw/zinc/74/77/30/1075747730.db2.gz SZAZRUHQBZPUPH-BGZDPUMWSA-N 1 2 379.339 -1.030 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001111194041 1075747663 /nfs/dbraw/zinc/74/76/63/1075747663.db2.gz SZAZRUHQBZPUPH-KDXUFGMBSA-N 1 2 379.339 -1.030 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001111194041 1075747659 /nfs/dbraw/zinc/74/76/59/1075747659.db2.gz SZAZRUHQBZPUPH-KDXUFGMBSA-N 1 2 379.339 -1.030 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)NCC(F)(F)F)C2 ZINC001111201757 1075750110 /nfs/dbraw/zinc/75/01/10/1075750110.db2.gz RCNOSHDBJARUMN-HLTSFMKQSA-N 1 2 379.339 -1.029 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(=O)NCC(F)(F)F)C2 ZINC001111201757 1075750108 /nfs/dbraw/zinc/75/01/08/1075750108.db2.gz RCNOSHDBJARUMN-HLTSFMKQSA-N 1 2 379.339 -1.029 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnccc1=O)C2 ZINC001111204300 1075750378 /nfs/dbraw/zinc/75/03/78/1075750378.db2.gz GFHRKXDCAYTNED-UPJWGTAASA-N 1 2 376.417 -1.190 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnccc1=O)C2 ZINC001111204300 1075750375 /nfs/dbraw/zinc/75/03/75/1075750375.db2.gz GFHRKXDCAYTNED-UPJWGTAASA-N 1 2 376.417 -1.190 20 0 GAADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111204650 1075750284 /nfs/dbraw/zinc/75/02/84/1075750284.db2.gz XXVTXDFXNBRIPW-MXWKQRLJSA-N 1 2 375.451 -1.816 20 0 GAADLO CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111204650 1075750279 /nfs/dbraw/zinc/75/02/79/1075750279.db2.gz XXVTXDFXNBRIPW-MXWKQRLJSA-N 1 2 375.451 -1.816 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1nncn1C)C2 ZINC001111206812 1075750705 /nfs/dbraw/zinc/75/07/05/1075750705.db2.gz QIERSIOQKWENFD-UTUOFQBUSA-N 1 2 379.421 -1.491 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1nncn1C)C2 ZINC001111206812 1075750704 /nfs/dbraw/zinc/75/07/04/1075750704.db2.gz QIERSIOQKWENFD-UTUOFQBUSA-N 1 2 379.421 -1.491 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ncnn1C)C2 ZINC001111212316 1075751525 /nfs/dbraw/zinc/75/15/25/1075751525.db2.gz UHJPHBVZCVHBPL-UTUOFQBUSA-N 1 2 379.421 -1.491 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ncnn1C)C2 ZINC001111212316 1075751523 /nfs/dbraw/zinc/75/15/23/1075751523.db2.gz UHJPHBVZCVHBPL-UTUOFQBUSA-N 1 2 379.421 -1.491 20 0 GAADLO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111226576 1075754800 /nfs/dbraw/zinc/75/48/00/1075754800.db2.gz MDSPZYDULWBDRQ-BBBLOLIVSA-N 1 2 380.405 -1.767 20 0 GAADLO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111226576 1075754794 /nfs/dbraw/zinc/75/47/94/1075754794.db2.gz MDSPZYDULWBDRQ-BBBLOLIVSA-N 1 2 380.405 -1.767 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(=O)NC1=O)C2 ZINC001111237914 1075756927 /nfs/dbraw/zinc/75/69/27/1075756927.db2.gz BABNRMZJPPWACP-MXWKQRLJSA-N 1 2 380.405 -1.895 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(=O)NC1=O)C2 ZINC001111237914 1075756920 /nfs/dbraw/zinc/75/69/20/1075756920.db2.gz BABNRMZJPPWACP-MXWKQRLJSA-N 1 2 380.405 -1.895 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC001111242254 1075757792 /nfs/dbraw/zinc/75/77/92/1075757792.db2.gz XSJGPUGIXFCVPH-UZWSLXQKSA-N 1 2 377.405 -1.231 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)C2 ZINC001111242254 1075757789 /nfs/dbraw/zinc/75/77/89/1075757789.db2.gz XSJGPUGIXFCVPH-UZWSLXQKSA-N 1 2 377.405 -1.231 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC001111242255 1075757746 /nfs/dbraw/zinc/75/77/46/1075757746.db2.gz XSJGPUGIXFCVPH-XZUYRWCXSA-N 1 2 377.405 -1.231 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC001111242255 1075757742 /nfs/dbraw/zinc/75/77/42/1075757742.db2.gz XSJGPUGIXFCVPH-XZUYRWCXSA-N 1 2 377.405 -1.231 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1cscn1)C2 ZINC001111242345 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/nfs/dbraw/zinc/76/37/05/1075763705.db2.gz PDAQQXQDQJJTFY-KFWWJZLASA-N 1 2 382.461 -1.281 20 0 GAADLO NC(=O)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111260217 1075765591 /nfs/dbraw/zinc/76/55/91/1075765591.db2.gz KWHAKDPWDXXWID-MCIONIFRSA-N 1 2 379.461 -1.288 20 0 GAADLO NC(=O)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111260217 1075765588 /nfs/dbraw/zinc/76/55/88/1075765588.db2.gz KWHAKDPWDXXWID-MCIONIFRSA-N 1 2 379.461 -1.288 20 0 GAADLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111263207 1075766851 /nfs/dbraw/zinc/76/68/51/1075766851.db2.gz FRXIZADLRGOBMQ-LPWJVIDDSA-N 1 2 378.437 -1.965 20 0 GAADLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C2 ZINC001111263207 1075766847 /nfs/dbraw/zinc/76/68/47/1075766847.db2.gz FRXIZADLRGOBMQ-LPWJVIDDSA-N 1 2 378.437 -1.965 20 0 GAADLO COc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)[nH]c(=O)[nH]c1=O ZINC001111272468 1075769543 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1075796215 /nfs/dbraw/zinc/79/62/15/1075796215.db2.gz WZNGYERBKUWQSB-ZDCRXTMVSA-N 1 2 375.451 -1.817 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)N(C)C)C2 ZINC001111334348 1075796211 /nfs/dbraw/zinc/79/62/11/1075796211.db2.gz WZNGYERBKUWQSB-ZDCRXTMVSA-N 1 2 375.451 -1.817 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001111335648 1075796198 /nfs/dbraw/zinc/79/61/98/1075796198.db2.gz SNUXSLHLVBVJFL-MQYQWHSLSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001111335648 1075796196 /nfs/dbraw/zinc/79/61/96/1075796196.db2.gz SNUXSLHLVBVJFL-MQYQWHSLSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001111335649 1075796136 /nfs/dbraw/zinc/79/61/36/1075796136.db2.gz SNUXSLHLVBVJFL-YIYPIFLZSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C2 ZINC001111335649 1075796132 /nfs/dbraw/zinc/79/61/32/1075796132.db2.gz SNUXSLHLVBVJFL-YIYPIFLZSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001111340003 1075796755 /nfs/dbraw/zinc/79/67/55/1075796755.db2.gz VFSWKMXKLBYUPC-UTUOFQBUSA-N 1 2 379.421 -1.933 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)n(C)c1=O)C2 ZINC001111340003 1075796752 /nfs/dbraw/zinc/79/67/52/1075796752.db2.gz VFSWKMXKLBYUPC-UTUOFQBUSA-N 1 2 379.421 -1.933 20 0 GAADLO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1=O ZINC001111353270 1075798007 /nfs/dbraw/zinc/79/80/07/1075798007.db2.gz QJGOKSSGVJHEPP-BBBLOLIVSA-N 1 2 380.405 -1.767 20 0 GAADLO CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1=O ZINC001111353270 1075798004 /nfs/dbraw/zinc/79/80/04/1075798004.db2.gz QJGOKSSGVJHEPP-BBBLOLIVSA-N 1 2 380.405 -1.767 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)N1CCOCC1)C2 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CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001111362049 1075799813 /nfs/dbraw/zinc/79/98/13/1075799813.db2.gz KQPIIDFJERNZJL-YGNMPJRFSA-N 1 2 376.417 -1.041 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001111362109 1075799806 /nfs/dbraw/zinc/79/98/06/1075799806.db2.gz NJIXEKFOJZDTAT-RTXFEEFZSA-N 1 2 376.417 -1.039 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(C)n1)C2 ZINC001111362109 1075799803 /nfs/dbraw/zinc/79/98/03/1075799803.db2.gz NJIXEKFOJZDTAT-RTXFEEFZSA-N 1 2 376.417 -1.039 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001111368046 1075799832 /nfs/dbraw/zinc/79/98/32/1075799832.db2.gz ITLLNFZJBPXSQW-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001111368046 1075799829 /nfs/dbraw/zinc/79/98/29/1075799829.db2.gz ITLLNFZJBPXSQW-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001111368168 1075800102 /nfs/dbraw/zinc/80/01/02/1075800102.db2.gz ONWMMBKCSYOKOK-MXWKQRLJSA-N 1 2 380.405 -1.895 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001111368168 1075800096 /nfs/dbraw/zinc/80/00/96/1075800096.db2.gz ONWMMBKCSYOKOK-MXWKQRLJSA-N 1 2 380.405 -1.895 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001111368217 1075800057 /nfs/dbraw/zinc/80/00/57/1075800057.db2.gz QZHVVCNPRYPRJQ-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CNC1=O)C2 ZINC001111368217 1075800053 /nfs/dbraw/zinc/80/00/53/1075800053.db2.gz QZHVVCNPRYPRJQ-UPJWGTAASA-N 1 2 381.433 -1.588 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C2 ZINC001111369770 1075800496 /nfs/dbraw/zinc/80/04/96/1075800496.db2.gz OZUXPIMMUYVBOE-MXWKQRLJSA-N 1 2 380.405 -1.943 20 0 GAADLO 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GAADLO CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001111412433 1075803441 /nfs/dbraw/zinc/80/34/41/1075803441.db2.gz OMDNBLSGMHKYHP-LPWJVIDDSA-N 1 2 379.504 -1.166 20 0 GAADLO CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001111412433 1075803439 /nfs/dbraw/zinc/80/34/39/1075803439.db2.gz OMDNBLSGMHKYHP-LPWJVIDDSA-N 1 2 379.504 -1.166 20 0 GAADLO CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001111412434 1075803887 /nfs/dbraw/zinc/80/38/87/1075803887.db2.gz OMDNBLSGMHKYHP-XQHKEYJVSA-N 1 2 379.504 -1.166 20 0 GAADLO CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001111412434 1075803881 /nfs/dbraw/zinc/80/38/81/1075803881.db2.gz OMDNBLSGMHKYHP-XQHKEYJVSA-N 1 2 379.504 -1.166 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001111412693 1075803488 /nfs/dbraw/zinc/80/34/88/1075803488.db2.gz ZRBPMGLSUCKRPU-KKOKHZNYSA-N 1 2 380.492 -2.051 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001111412693 1075803485 /nfs/dbraw/zinc/80/34/85/1075803485.db2.gz ZRBPMGLSUCKRPU-KKOKHZNYSA-N 1 2 380.492 -2.051 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001111412694 1075803503 /nfs/dbraw/zinc/80/35/03/1075803503.db2.gz ZRBPMGLSUCKRPU-KXNHARMFSA-N 1 2 380.492 -2.051 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001111412694 1075803499 /nfs/dbraw/zinc/80/34/99/1075803499.db2.gz ZRBPMGLSUCKRPU-KXNHARMFSA-N 1 2 380.492 -2.051 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111414693 1075803713 /nfs/dbraw/zinc/80/37/13/1075803713.db2.gz YHDYYBIRMCMICC-LOWDOPEQSA-N 1 2 379.504 -1.308 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111414693 1075803709 /nfs/dbraw/zinc/80/37/09/1075803709.db2.gz YHDYYBIRMCMICC-LOWDOPEQSA-N 1 2 379.504 -1.308 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111414694 1075803766 /nfs/dbraw/zinc/80/37/66/1075803766.db2.gz YHDYYBIRMCMICC-LPWJVIDDSA-N 1 2 379.504 -1.308 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111414694 1075803760 /nfs/dbraw/zinc/80/37/60/1075803760.db2.gz YHDYYBIRMCMICC-LPWJVIDDSA-N 1 2 379.504 -1.308 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001111414728 1075803788 /nfs/dbraw/zinc/80/37/88/1075803788.db2.gz ZYQXYWHAHOXCNE-UTUOFQBUSA-N 1 2 382.508 -1.852 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001111414728 1075803784 /nfs/dbraw/zinc/80/37/84/1075803784.db2.gz ZYQXYWHAHOXCNE-UTUOFQBUSA-N 1 2 382.508 -1.852 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001111418563 1075804178 /nfs/dbraw/zinc/80/41/78/1075804178.db2.gz GRKYOHVQWRCJBW-UTUOFQBUSA-N 1 2 382.508 -1.804 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001111418563 1075804174 /nfs/dbraw/zinc/80/41/74/1075804174.db2.gz GRKYOHVQWRCJBW-UTUOFQBUSA-N 1 2 382.508 -1.804 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111419714 1075804140 /nfs/dbraw/zinc/80/41/40/1075804140.db2.gz JEZPJYGSMSNNQF-LOWDOPEQSA-N 1 2 381.520 -1.062 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111419714 1075804133 /nfs/dbraw/zinc/80/41/33/1075804133.db2.gz JEZPJYGSMSNNQF-LOWDOPEQSA-N 1 2 381.520 -1.062 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111419715 1075804070 /nfs/dbraw/zinc/80/40/70/1075804070.db2.gz JEZPJYGSMSNNQF-LPWJVIDDSA-N 1 2 381.520 -1.062 20 0 GAADLO CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111419715 1075804065 /nfs/dbraw/zinc/80/40/65/1075804065.db2.gz JEZPJYGSMSNNQF-LPWJVIDDSA-N 1 2 381.520 -1.062 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001111419818 1075804099 /nfs/dbraw/zinc/80/40/99/1075804099.db2.gz QGXXZVMYYXETGP-DBIOUOCHSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001111419818 1075804094 /nfs/dbraw/zinc/80/40/94/1075804094.db2.gz QGXXZVMYYXETGP-DBIOUOCHSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001111419819 1075804158 /nfs/dbraw/zinc/80/41/58/1075804158.db2.gz QGXXZVMYYXETGP-ZDCRXTMVSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CS(=O)(=O)NC)C2 ZINC001111419819 1075804154 /nfs/dbraw/zinc/80/41/54/1075804154.db2.gz QGXXZVMYYXETGP-ZDCRXTMVSA-N 1 2 375.451 -1.899 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001111426034 1073441159 /nfs/dbraw/zinc/44/11/59/1073441159.db2.gz GCGMFOOORKLIKE-MQYQWHSLSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COCCN1C(C)=O)C2 ZINC001111426034 1073441144 /nfs/dbraw/zinc/44/11/44/1073441144.db2.gz GCGMFOOORKLIKE-MQYQWHSLSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001111426035 1073441262 /nfs/dbraw/zinc/44/12/62/1073441262.db2.gz GCGMFOOORKLIKE-YIYPIFLZSA-N 1 2 381.433 -1.589 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COCCN1C(C)=O)C2 ZINC001111426035 1073441259 /nfs/dbraw/zinc/44/12/59/1073441259.db2.gz GCGMFOOORKLIKE-YIYPIFLZSA-N 1 2 381.433 -1.589 20 0 GAADLO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111447251 1073460211 /nfs/dbraw/zinc/46/02/11/1073460211.db2.gz HYIJUOPQTOILNK-MXWKQRLJSA-N 1 2 375.451 -1.816 20 0 GAADLO CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111447251 1073460208 /nfs/dbraw/zinc/46/02/08/1073460208.db2.gz HYIJUOPQTOILNK-MXWKQRLJSA-N 1 2 375.451 -1.816 20 0 GAADLO CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001111451092 1073463100 /nfs/dbraw/zinc/46/31/00/1073463100.db2.gz NBUUKXGCQBZAMF-MCIONIFRSA-N 1 2 377.449 -1.358 20 0 GAADLO CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001111451092 1073463094 /nfs/dbraw/zinc/46/30/94/1073463094.db2.gz NBUUKXGCQBZAMF-MCIONIFRSA-N 1 2 377.449 -1.358 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001111451187 1073462948 /nfs/dbraw/zinc/46/29/48/1073462948.db2.gz RFPBGBUQVGJJGE-MXWKQRLJSA-N 1 2 378.393 -2.689 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)Cn1cncn1)C2 ZINC001111451187 1073462946 /nfs/dbraw/zinc/46/29/46/1073462946.db2.gz RFPBGBUQVGJJGE-MXWKQRLJSA-N 1 2 378.393 -2.689 20 0 GAADLO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001111456488 1073469714 /nfs/dbraw/zinc/46/97/14/1073469714.db2.gz GDJDLOQXBGMOIL-UTUOFQBUSA-N 1 2 375.495 -1.035 20 0 GAADLO CNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001111456488 1073469711 /nfs/dbraw/zinc/46/97/11/1073469711.db2.gz GDJDLOQXBGMOIL-UTUOFQBUSA-N 1 2 375.495 -1.035 20 0 GAADLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001111458973 1073550227 /nfs/dbraw/zinc/55/02/27/1073550227.db2.gz LIGJPEPIRVEQKJ-BZPMIXESSA-N 1 2 377.449 -1.163 20 0 GAADLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C2 ZINC001111458973 1073550219 /nfs/dbraw/zinc/55/02/19/1073550219.db2.gz LIGJPEPIRVEQKJ-BZPMIXESSA-N 1 2 377.449 -1.163 20 0 GAADLO CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111458976 1073549979 /nfs/dbraw/zinc/54/99/79/1073549979.db2.gz LNWKLJDAIAGPRI-BZPMIXESSA-N 1 2 377.449 -1.129 20 0 GAADLO CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111458976 1073549967 /nfs/dbraw/zinc/54/99/67/1073549967.db2.gz LNWKLJDAIAGPRI-BZPMIXESSA-N 1 2 377.449 -1.129 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111459008 1073550163 /nfs/dbraw/zinc/55/01/63/1073550163.db2.gz NKUIBHBEJDGSSI-CDLYGTGVSA-N 1 2 378.393 -2.318 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111459008 1073550151 /nfs/dbraw/zinc/55/01/51/1073550151.db2.gz NKUIBHBEJDGSSI-CDLYGTGVSA-N 1 2 378.393 -2.318 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111459009 1073550329 /nfs/dbraw/zinc/55/03/29/1073550329.db2.gz NKUIBHBEJDGSSI-SJQPAMGKSA-N 1 2 378.393 -2.318 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111459009 1073550323 /nfs/dbraw/zinc/55/03/23/1073550323.db2.gz NKUIBHBEJDGSSI-SJQPAMGKSA-N 1 2 378.393 -2.318 20 0 GAADLO CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111463357 1073550758 /nfs/dbraw/zinc/55/07/58/1073550758.db2.gz LOTBKCPAQBOZCD-BZPMIXESSA-N 1 2 377.449 -1.035 20 0 GAADLO CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111463357 1073550748 /nfs/dbraw/zinc/55/07/48/1073550748.db2.gz LOTBKCPAQBOZCD-BZPMIXESSA-N 1 2 377.449 -1.035 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)nn1 ZINC001111463413 1073550725 /nfs/dbraw/zinc/55/07/25/1073550725.db2.gz PYMUMHNTZWZMHB-BZPMIXESSA-N 1 2 375.433 -1.375 20 0 GAADLO NC(=O)Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)nn1 ZINC001111463413 1073550713 /nfs/dbraw/zinc/55/07/13/1073550713.db2.gz PYMUMHNTZWZMHB-BZPMIXESSA-N 1 2 375.433 -1.375 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111463559 1073550815 /nfs/dbraw/zinc/55/08/15/1073550815.db2.gz YMGSFEXVGLIQHO-BZPMIXESSA-N 1 2 377.449 -1.033 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(CC(N)=O)nn1)C2 ZINC001111463559 1073550809 /nfs/dbraw/zinc/55/08/09/1073550809.db2.gz YMGSFEXVGLIQHO-BZPMIXESSA-N 1 2 377.449 -1.033 20 0 GAADLO CCOCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111468966 1073552123 /nfs/dbraw/zinc/55/21/23/1073552123.db2.gz ZCPMVHBIEYVMFN-KFWWJZLASA-N 1 2 382.461 -1.281 20 0 GAADLO CCOCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111468966 1073552119 /nfs/dbraw/zinc/55/21/19/1073552119.db2.gz ZCPMVHBIEYVMFN-KFWWJZLASA-N 1 2 382.461 -1.281 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001111475118 1073553400 /nfs/dbraw/zinc/55/34/00/1073553400.db2.gz YJWXXYZJVDHKCE-UTUOFQBUSA-N 1 2 378.433 -1.095 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001111475118 1073553389 /nfs/dbraw/zinc/55/33/89/1073553389.db2.gz YJWXXYZJVDHKCE-UTUOFQBUSA-N 1 2 378.433 -1.095 20 0 GAADLO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111491243 1073613895 /nfs/dbraw/zinc/61/38/95/1073613895.db2.gz USPNKYIMKXRGCW-KFWWJZLASA-N 1 2 382.461 -1.281 20 0 GAADLO COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111491243 1073613888 /nfs/dbraw/zinc/61/38/88/1073613888.db2.gz USPNKYIMKXRGCW-KFWWJZLASA-N 1 2 382.461 -1.281 20 0 GAADLO C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001111505398 1075376348 /nfs/dbraw/zinc/37/63/48/1075376348.db2.gz RELYIGIWTZNPCK-DGAVXFQQSA-N 1 2 381.477 -1.044 20 0 GAADLO C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001111505398 1075376342 /nfs/dbraw/zinc/37/63/42/1075376342.db2.gz RELYIGIWTZNPCK-DGAVXFQQSA-N 1 2 381.477 -1.044 20 0 GAADLO C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001111505399 1075376320 /nfs/dbraw/zinc/37/63/20/1075376320.db2.gz RELYIGIWTZNPCK-SYQHCUMBSA-N 1 2 381.477 -1.044 20 0 GAADLO C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(N)=O)C2)C(=O)N(C)C ZINC001111505399 1075376313 /nfs/dbraw/zinc/37/63/13/1075376313.db2.gz RELYIGIWTZNPCK-SYQHCUMBSA-N 1 2 381.477 -1.044 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)[C@H]1CCCO1)C2 ZINC001111508909 1073563962 /nfs/dbraw/zinc/56/39/62/1073563962.db2.gz LJDYHMLMCKRXBY-FVCCEPFGSA-N 1 2 381.433 -1.412 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)[C@H]1CCCO1)C2 ZINC001111508909 1073563950 /nfs/dbraw/zinc/56/39/50/1073563950.db2.gz LJDYHMLMCKRXBY-FVCCEPFGSA-N 1 2 381.433 -1.412 20 0 GAADLO NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)[C@@H]1CCCO1)C2 ZINC001111508910 1073563762 /nfs/dbraw/zinc/56/37/62/1073563762.db2.gz LJDYHMLMCKRXBY-NDBYEHHHSA-N 1 2 381.433 -1.412 20 0 GAADLO NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)[C@@H]1CCCO1)C2 ZINC001111508910 1073563753 /nfs/dbraw/zinc/56/37/53/1073563753.db2.gz LJDYHMLMCKRXBY-NDBYEHHHSA-N 1 2 381.433 -1.412 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111523786 1074280778 /nfs/dbraw/zinc/28/07/78/1074280778.db2.gz LJQHWFDLQMABKP-DGAVXFQQSA-N 1 2 380.445 -1.087 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111523786 1074280773 /nfs/dbraw/zinc/28/07/73/1074280773.db2.gz LJQHWFDLQMABKP-DGAVXFQQSA-N 1 2 380.445 -1.087 20 0 GAADLO CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111523787 1074280801 /nfs/dbraw/zinc/28/08/01/1074280801.db2.gz LJQHWFDLQMABKP-SYQHCUMBSA-N 1 2 380.445 -1.087 20 0 GAADLO CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111523787 1074280798 /nfs/dbraw/zinc/28/07/98/1074280798.db2.gz LJQHWFDLQMABKP-SYQHCUMBSA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111523895 1074281269 /nfs/dbraw/zinc/28/12/69/1074281269.db2.gz QIJCWIIBJCVVOR-DGAVXFQQSA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111523895 1074281261 /nfs/dbraw/zinc/28/12/61/1074281261.db2.gz QIJCWIIBJCVVOR-DGAVXFQQSA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111523896 1074281226 /nfs/dbraw/zinc/28/12/26/1074281226.db2.gz QIJCWIIBJCVVOR-SYQHCUMBSA-N 1 2 380.445 -1.087 20 0 GAADLO COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111523896 1074281219 /nfs/dbraw/zinc/28/12/19/1074281219.db2.gz QIJCWIIBJCVVOR-SYQHCUMBSA-N 1 2 380.445 -1.087 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111523940 1074281169 /nfs/dbraw/zinc/28/11/69/1074281169.db2.gz SWLWNXLCNKUGJK-KKOKHZNYSA-N 1 2 379.417 -1.394 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C2 ZINC001111523940 1074281160 /nfs/dbraw/zinc/28/11/60/1074281160.db2.gz SWLWNXLCNKUGJK-KKOKHZNYSA-N 1 2 379.417 -1.394 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111523941 1074281202 /nfs/dbraw/zinc/28/12/02/1074281202.db2.gz SWLWNXLCNKUGJK-QCNOEVLYSA-N 1 2 379.417 -1.394 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C2 ZINC001111523941 1074281198 /nfs/dbraw/zinc/28/11/98/1074281198.db2.gz SWLWNXLCNKUGJK-QCNOEVLYSA-N 1 2 379.417 -1.394 20 0 GAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984498 1073576980 /nfs/dbraw/zinc/57/69/80/1073576980.db2.gz SPYVNMWREBBILL-CHWSQXEVSA-N 1 2 386.474 -1.958 20 0 GAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984498 1073576968 /nfs/dbraw/zinc/57/69/68/1073576968.db2.gz SPYVNMWREBBILL-CHWSQXEVSA-N 1 2 386.474 -1.958 20 0 GAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984499 1073576767 /nfs/dbraw/zinc/57/67/67/1073576767.db2.gz SPYVNMWREBBILL-OLZOCXBDSA-N 1 2 386.474 -1.958 20 0 GAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984499 1073576759 /nfs/dbraw/zinc/57/67/59/1073576759.db2.gz SPYVNMWREBBILL-OLZOCXBDSA-N 1 2 386.474 -1.958 20 0 GAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984500 1073576931 /nfs/dbraw/zinc/57/69/31/1073576931.db2.gz SPYVNMWREBBILL-QWHCGFSZSA-N 1 2 386.474 -1.958 20 0 GAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984500 1073576917 /nfs/dbraw/zinc/57/69/17/1073576917.db2.gz SPYVNMWREBBILL-QWHCGFSZSA-N 1 2 386.474 -1.958 20 0 GAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984501 1073576725 /nfs/dbraw/zinc/57/67/25/1073576725.db2.gz SPYVNMWREBBILL-STQMWFEESA-N 1 2 386.474 -1.958 20 0 GAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001115984501 1073576714 /nfs/dbraw/zinc/57/67/14/1073576714.db2.gz SPYVNMWREBBILL-STQMWFEESA-N 1 2 386.474 -1.958 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC001116017561 1073577808 /nfs/dbraw/zinc/57/78/08/1073577808.db2.gz BNNAWLWMHSMYHU-UHFFFAOYSA-N 1 2 396.535 -1.170 20 0 GAADLO COCC(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001116017979 1073577996 /nfs/dbraw/zinc/57/79/96/1073577996.db2.gz RUVCYSMVCHMXEI-UHFFFAOYSA-N 1 2 390.506 -1.004 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001116019418 1073577966 /nfs/dbraw/zinc/57/79/66/1073577966.db2.gz CVQNUPYABHPACB-UHFFFAOYSA-N 1 2 396.535 -1.218 20 0 GAADLO Cn1cc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001116020752 1073577846 /nfs/dbraw/zinc/57/78/46/1073577846.db2.gz TZQOSYGCOYMCBX-UHFFFAOYSA-N 1 2 392.503 -1.089 20 0 GAADLO CCS(=O)(=O)NCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001116022643 1073577927 /nfs/dbraw/zinc/57/79/27/1073577927.db2.gz XIFBBBKCGHNFDG-UHFFFAOYSA-N 1 2 384.524 -1.266 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC001116022689 1073577872 /nfs/dbraw/zinc/57/78/72/1073577872.db2.gz ZRBBKUMMXSJIAY-UHFFFAOYSA-N 1 2 389.478 -1.264 20 0 GAADLO CN(CC(=O)N1CCOCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001116040106 1073578339 /nfs/dbraw/zinc/57/83/39/1073578339.db2.gz LZWAGOSWKLVKJV-UHFFFAOYSA-N 1 2 390.506 -1.004 20 0 GAADLO CN(CCNS(C)(=O)=O)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001116053701 1073578830 /nfs/dbraw/zinc/57/88/30/1073578830.db2.gz SBHQJQSEJNQKCS-CYBMUJFWSA-N 1 2 376.479 -1.825 20 0 GAADLO CN(CCNS(C)(=O)=O)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001116053703 1073578899 /nfs/dbraw/zinc/57/88/99/1073578899.db2.gz SBHQJQSEJNQKCS-ZDUSSCGKSA-N 1 2 376.479 -1.825 20 0 GAADLO CN(CCNS(C)(=O)=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001116063357 1073579393 /nfs/dbraw/zinc/57/93/93/1073579393.db2.gz HBLRFVGLBGTKJX-UHFFFAOYSA-N 1 2 384.524 -1.314 20 0 GAADLO CC(=O)N[C@@H](CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC001116111237 1073581149 /nfs/dbraw/zinc/58/11/49/1073581149.db2.gz QONZFGZWVHVBQV-AWEZNQCLSA-N 1 2 390.444 -1.383 20 0 GAADLO NC(=O)Cn1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC001116142565 1073581627 /nfs/dbraw/zinc/58/16/27/1073581627.db2.gz GJCFTLRCWHVQLN-UHFFFAOYSA-N 1 2 386.416 -1.373 20 0 GAADLO CC(C)(CNC(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O)[NH+]1CCOCC1 ZINC001116199354 1073582740 /nfs/dbraw/zinc/58/27/40/1073582740.db2.gz ITXKXMXIUVJGQI-GFCCVEGCSA-N 1 2 396.448 -1.760 20 0 GAADLO CC(C)(CNC(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O)[NH+]1CCOCC1 ZINC001116199355 1073582603 /nfs/dbraw/zinc/58/26/03/1073582603.db2.gz ITXKXMXIUVJGQI-LBPRGKRZSA-N 1 2 396.448 -1.760 20 0 GAADLO NS(=O)(=O)c1cnn(CCC(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC001116208738 1073582777 /nfs/dbraw/zinc/58/27/77/1073582777.db2.gz FYIMKOUDNJSEMX-UHFFFAOYSA-N 1 2 382.450 -1.644 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COCC(=O)NCc1cccnc1 ZINC001116215349 1073583237 /nfs/dbraw/zinc/58/32/37/1073583237.db2.gz QRBRUXILWMMIHS-INIZCTEOSA-N 1 2 380.445 -1.134 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COCC(=O)NCc1cccnc1 ZINC001116215350 1073583428 /nfs/dbraw/zinc/58/34/28/1073583428.db2.gz QRBRUXILWMMIHS-MRXNPFEDSA-N 1 2 380.445 -1.134 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001116215443 1073583334 /nfs/dbraw/zinc/58/33/34/1073583334.db2.gz VMJXREDGKOCHIN-LLVKDONJSA-N 1 2 394.432 -1.554 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC001116215444 1073583369 /nfs/dbraw/zinc/58/33/69/1073583369.db2.gz VMJXREDGKOCHIN-NSHDSACASA-N 1 2 394.432 -1.554 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC001116243237 1073584257 /nfs/dbraw/zinc/58/42/57/1073584257.db2.gz MFUFVVVJHJBTON-UHFFFAOYSA-N 1 2 387.462 -1.343 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC001116263055 1073585341 /nfs/dbraw/zinc/58/53/41/1073585341.db2.gz UFMZZFXIFUBKER-CHWSQXEVSA-N 1 2 376.479 -1.173 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001116263056 1073585364 /nfs/dbraw/zinc/58/53/64/1073585364.db2.gz UFMZZFXIFUBKER-OLZOCXBDSA-N 1 2 376.479 -1.173 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC001116263057 1073585391 /nfs/dbraw/zinc/58/53/91/1073585391.db2.gz UFMZZFXIFUBKER-QWHCGFSZSA-N 1 2 376.479 -1.173 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001116263058 1073585605 /nfs/dbraw/zinc/58/56/05/1073585605.db2.gz UFMZZFXIFUBKER-STQMWFEESA-N 1 2 376.479 -1.173 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)nn1 ZINC001116279411 1073586026 /nfs/dbraw/zinc/58/60/26/1073586026.db2.gz JQJFPRCJKFLIPA-AWEZNQCLSA-N 1 2 380.449 -1.070 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)nn1 ZINC001116279415 1073586149 /nfs/dbraw/zinc/58/61/49/1073586149.db2.gz JQJFPRCJKFLIPA-CQSZACIVSA-N 1 2 380.449 -1.070 20 0 GAADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001116335527 1073588305 /nfs/dbraw/zinc/58/83/05/1073588305.db2.gz FGRBDUORILTYNX-HNNXBMFYSA-N 1 2 394.476 -1.009 20 0 GAADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001116335528 1073588239 /nfs/dbraw/zinc/58/82/39/1073588239.db2.gz FGRBDUORILTYNX-OAHLLOKOSA-N 1 2 394.476 -1.009 20 0 GAADLO O=C(NCCN1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001116335727 1073588397 /nfs/dbraw/zinc/58/83/97/1073588397.db2.gz IBCREXQAUMFQTR-UHFFFAOYSA-N 1 2 380.449 -1.398 20 0 GAADLO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001116345657 1073588796 /nfs/dbraw/zinc/58/87/96/1073588796.db2.gz DKJCSZPXLFHRRZ-CHWSQXEVSA-N 1 2 390.506 -1.895 20 0 GAADLO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001116345658 1073588879 /nfs/dbraw/zinc/58/88/79/1073588879.db2.gz DKJCSZPXLFHRRZ-OLZOCXBDSA-N 1 2 390.506 -1.895 20 0 GAADLO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001116345659 1073589388 /nfs/dbraw/zinc/58/93/88/1073589388.db2.gz DKJCSZPXLFHRRZ-QWHCGFSZSA-N 1 2 390.506 -1.895 20 0 GAADLO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001116345660 1073589561 /nfs/dbraw/zinc/58/95/61/1073589561.db2.gz DKJCSZPXLFHRRZ-STQMWFEESA-N 1 2 390.506 -1.895 20 0 GAADLO C[C@H](NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(C)C ZINC001116348846 1073589436 /nfs/dbraw/zinc/58/94/36/1073589436.db2.gz AURQBRPYDQMKIZ-AVGNSLFASA-N 1 2 376.479 -2.333 20 0 GAADLO C[C@H](NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(C)C ZINC001116348848 1073589668 /nfs/dbraw/zinc/58/96/68/1073589668.db2.gz AURQBRPYDQMKIZ-RWMBFGLXSA-N 1 2 376.479 -2.333 20 0 GAADLO C[C@H](NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(C)C ZINC001116348849 1073589501 /nfs/dbraw/zinc/58/95/01/1073589501.db2.gz AURQBRPYDQMKIZ-XQQFMLRXSA-N 1 2 376.479 -2.333 20 0 GAADLO C[C@H](NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(C)C ZINC001116348850 1073589455 /nfs/dbraw/zinc/58/94/55/1073589455.db2.gz AURQBRPYDQMKIZ-YNEHKIRRSA-N 1 2 376.479 -2.333 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001116377560 1073590628 /nfs/dbraw/zinc/59/06/28/1073590628.db2.gz WEOKJXAPWVPVPM-HNNXBMFYSA-N 1 2 392.522 -1.008 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001116377561 1073590782 /nfs/dbraw/zinc/59/07/82/1073590782.db2.gz WEOKJXAPWVPVPM-OAHLLOKOSA-N 1 2 392.522 -1.008 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)nc2)CC1 ZINC001116422866 1073592150 /nfs/dbraw/zinc/59/21/50/1073592150.db2.gz LJFWWBUZWWQEDD-UHFFFAOYSA-N 1 2 390.487 -1.032 20 0 GAADLO O=C(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC001116491325 1073593827 /nfs/dbraw/zinc/59/38/27/1073593827.db2.gz MWVIRLWAOVOZAZ-UHFFFAOYSA-N 1 2 394.432 -1.871 20 0 GAADLO O=C1NC(=O)N2CCN(CCOCC[N@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@@H]12 ZINC001116497681 1073594587 /nfs/dbraw/zinc/59/45/87/1073594587.db2.gz DWQBBIVFISCNAU-RYUDHWBXSA-N 1 2 380.405 -2.525 20 0 GAADLO O=C1NC(=O)N2CCN(CCOCC[N@@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@@H]12 ZINC001116497681 1073594577 /nfs/dbraw/zinc/59/45/77/1073594577.db2.gz DWQBBIVFISCNAU-RYUDHWBXSA-N 1 2 380.405 -2.525 20 0 GAADLO O=C1NC(=O)N2CCN(CCOCC[N@H+]3CCN4C(=O)NC(=O)[C@H]4C3)C[C@H]12 ZINC001116497687 1073594473 /nfs/dbraw/zinc/59/44/73/1073594473.db2.gz DWQBBIVFISCNAU-VXGBXAGGSA-N 1 2 380.405 -2.525 20 0 GAADLO O=C1NC(=O)N2CCN(CCOCC[N@@H+]3CCN4C(=O)NC(=O)[C@H]4C3)C[C@H]12 ZINC001116497687 1073594460 /nfs/dbraw/zinc/59/44/60/1073594460.db2.gz DWQBBIVFISCNAU-VXGBXAGGSA-N 1 2 380.405 -2.525 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCN2CCNC(=O)C2)CC1 ZINC001116521125 1073595513 /nfs/dbraw/zinc/59/55/13/1073595513.db2.gz GBPKWPLSLFLHBV-UHFFFAOYSA-N 1 2 375.495 -1.774 20 0 GAADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC001116532571 1073596719 /nfs/dbraw/zinc/59/67/19/1073596719.db2.gz WPICUEYGNBMZER-UHFFFAOYSA-N 1 2 395.464 -1.126 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)NCCO)CC1 ZINC001116708974 1073601331 /nfs/dbraw/zinc/60/13/31/1073601331.db2.gz JHFLQSOJQGMCDR-UHFFFAOYSA-N 1 2 391.428 -1.763 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC001116712516 1073601943 /nfs/dbraw/zinc/60/19/43/1073601943.db2.gz IPOIVRKDVXYKGF-AWEZNQCLSA-N 1 2 389.416 -1.248 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC001116712517 1073601992 /nfs/dbraw/zinc/60/19/92/1073601992.db2.gz IPOIVRKDVXYKGF-CQSZACIVSA-N 1 2 389.416 -1.248 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@H](O)CO)CC1 ZINC001116721913 1073603142 /nfs/dbraw/zinc/60/31/42/1073603142.db2.gz XOXXIRNFSUANDE-HNNXBMFYSA-N 1 2 378.429 -1.241 20 0 GAADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@@H](O)CO)CC1 ZINC001116721914 1073603047 /nfs/dbraw/zinc/60/30/47/1073603047.db2.gz XOXXIRNFSUANDE-OAHLLOKOSA-N 1 2 378.429 -1.241 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001116724399 1074790814 /nfs/dbraw/zinc/79/08/14/1074790814.db2.gz VJMMYQCBFOHCGF-HNNXBMFYSA-N 1 2 377.445 -1.217 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001116724400 1074790762 /nfs/dbraw/zinc/79/07/62/1074790762.db2.gz VJMMYQCBFOHCGF-OAHLLOKOSA-N 1 2 377.445 -1.217 20 0 GAADLO CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001116731520 1073604519 /nfs/dbraw/zinc/60/45/19/1073604519.db2.gz FFDOOGSNIDYSSU-CYBMUJFWSA-N 1 2 380.449 -1.006 20 0 GAADLO CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001116731521 1073604387 /nfs/dbraw/zinc/60/43/87/1073604387.db2.gz FFDOOGSNIDYSSU-ZDUSSCGKSA-N 1 2 380.449 -1.006 20 0 GAADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)S(C)(=O)=O ZINC001116841792 1073609697 /nfs/dbraw/zinc/60/96/97/1073609697.db2.gz PRARZHBWXMWHNI-AWEZNQCLSA-N 1 2 375.451 -1.942 20 0 GAADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)S(C)(=O)=O ZINC001116841792 1073609692 /nfs/dbraw/zinc/60/96/92/1073609692.db2.gz PRARZHBWXMWHNI-AWEZNQCLSA-N 1 2 375.451 -1.942 20 0 GAADLO CN(CCCNC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)S(C)(=O)=O ZINC001116841793 1073609553 /nfs/dbraw/zinc/60/95/53/1073609553.db2.gz PRARZHBWXMWHNI-CQSZACIVSA-N 1 2 375.451 -1.942 20 0 GAADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)S(C)(=O)=O ZINC001116841793 1073609543 /nfs/dbraw/zinc/60/95/43/1073609543.db2.gz PRARZHBWXMWHNI-CQSZACIVSA-N 1 2 375.451 -1.942 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001116868716 1073610338 /nfs/dbraw/zinc/61/03/38/1073610338.db2.gz KASANXKCURSVPC-GFCCVEGCSA-N 1 2 390.487 -1.078 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001116868717 1073610431 /nfs/dbraw/zinc/61/04/31/1073610431.db2.gz KASANXKCURSVPC-LBPRGKRZSA-N 1 2 390.487 -1.078 20 0 GAADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001116882361 1073610861 /nfs/dbraw/zinc/61/08/61/1073610861.db2.gz VSELPEGSFMAIEM-KRWDZBQOSA-N 1 2 378.433 -1.122 20 0 GAADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001116882363 1073610999 /nfs/dbraw/zinc/61/09/99/1073610999.db2.gz VSELPEGSFMAIEM-QGZVFWFLSA-N 1 2 378.433 -1.122 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2(CO)COC2)CC1 ZINC001116904345 1073611664 /nfs/dbraw/zinc/61/16/64/1073611664.db2.gz LJIFLMCEZXNZPB-UHFFFAOYSA-N 1 2 390.400 -1.436 20 0 GAADLO NS(=O)(=O)c1cnn(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC001116909621 1073611616 /nfs/dbraw/zinc/61/16/16/1073611616.db2.gz BLHFRPGTMTVWCM-CYBMUJFWSA-N 1 2 387.462 -1.520 20 0 GAADLO NS(=O)(=O)c1cnn(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC001116909622 1073611733 /nfs/dbraw/zinc/61/17/33/1073611733.db2.gz BLHFRPGTMTVWCM-ZDUSSCGKSA-N 1 2 387.462 -1.520 20 0 GAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001116972980 1073616880 /nfs/dbraw/zinc/61/68/80/1073616880.db2.gz QABAOYZVNIASLF-UHFFFAOYSA-N 1 2 376.417 -1.708 20 0 GAADLO COC(=O)CCCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001116986686 1073617593 /nfs/dbraw/zinc/61/75/93/1073617593.db2.gz RKIJPOBEECZIKV-UHFFFAOYSA-N 1 2 377.463 -1.319 20 0 GAADLO CC(C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)[NH+]1CCOCC1 ZINC001116989746 1073618466 /nfs/dbraw/zinc/61/84/66/1073618466.db2.gz KTCRAEGPGJFYMH-AWEZNQCLSA-N 1 2 380.449 -1.271 20 0 GAADLO CC(C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1ccn[nH]1)[NH+]1CCOCC1 ZINC001116989747 1073618517 /nfs/dbraw/zinc/61/85/17/1073618517.db2.gz KTCRAEGPGJFYMH-CQSZACIVSA-N 1 2 380.449 -1.271 20 0 GAADLO O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001116990570 1073618568 /nfs/dbraw/zinc/61/85/68/1073618568.db2.gz FOFQCUMKNUIXQP-UHFFFAOYSA-N 1 2 398.423 -1.112 20 0 GAADLO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001116990826 1073618444 /nfs/dbraw/zinc/61/84/44/1073618444.db2.gz NRGLMQWQFHYKPV-UHFFFAOYSA-N 1 2 387.462 -1.490 20 0 GAADLO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC001117010711 1073619741 /nfs/dbraw/zinc/61/97/41/1073619741.db2.gz BWDGSJSOOATPHP-CYBMUJFWSA-N 1 2 378.495 -1.485 20 0 GAADLO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001117010712 1073619969 /nfs/dbraw/zinc/61/99/69/1073619969.db2.gz BWDGSJSOOATPHP-ZDUSSCGKSA-N 1 2 378.495 -1.485 20 0 GAADLO CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001117010937 1073619859 /nfs/dbraw/zinc/61/98/59/1073619859.db2.gz CMPFRRDNKBNNHM-AWEZNQCLSA-N 1 2 392.522 -1.097 20 0 GAADLO CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC001117010938 1073620517 /nfs/dbraw/zinc/62/05/17/1073620517.db2.gz CMPFRRDNKBNNHM-CQSZACIVSA-N 1 2 392.522 -1.097 20 0 GAADLO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001117015388 1073620460 /nfs/dbraw/zinc/62/04/60/1073620460.db2.gz JPKJGEQKXVOMNP-CVEARBPZSA-N 1 2 391.472 -1.090 20 0 GAADLO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001117015389 1073620411 /nfs/dbraw/zinc/62/04/11/1073620411.db2.gz JPKJGEQKXVOMNP-HOTGVXAUSA-N 1 2 391.472 -1.090 20 0 GAADLO Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001117015390 1073620441 /nfs/dbraw/zinc/62/04/41/1073620441.db2.gz JPKJGEQKXVOMNP-HZPDHXFCSA-N 1 2 391.472 -1.090 20 0 GAADLO Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001117015391 1073620542 /nfs/dbraw/zinc/62/05/42/1073620542.db2.gz JPKJGEQKXVOMNP-JKSUJKDBSA-N 1 2 391.472 -1.090 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC001117020169 1073621358 /nfs/dbraw/zinc/62/13/58/1073621358.db2.gz PHCUAVAVOMVWDB-HNNXBMFYSA-N 1 2 378.429 -1.447 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC001117020170 1073621153 /nfs/dbraw/zinc/62/11/53/1073621153.db2.gz PHCUAVAVOMVWDB-OAHLLOKOSA-N 1 2 378.429 -1.447 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001117042300 1073624444 /nfs/dbraw/zinc/62/44/44/1073624444.db2.gz VTFQNRDTPMZQGI-CHWSQXEVSA-N 1 2 389.474 -1.367 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001117042300 1073624441 /nfs/dbraw/zinc/62/44/41/1073624441.db2.gz VTFQNRDTPMZQGI-CHWSQXEVSA-N 1 2 389.474 -1.367 20 0 GAADLO 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COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001118247618 1073735480 /nfs/dbraw/zinc/73/54/80/1073735480.db2.gz NBJUWTQDWWYDGL-RBSFLKMASA-N 1 2 383.445 -1.308 20 0 GAADLO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001118249185 1073735985 /nfs/dbraw/zinc/73/59/85/1073735985.db2.gz JRHPLFHEGPYCRS-HZSPNIEDSA-N 1 2 387.433 -2.480 20 0 GAADLO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001118249186 1073736054 /nfs/dbraw/zinc/73/60/54/1073736054.db2.gz JRHPLFHEGPYCRS-MCIONIFRSA-N 1 2 387.433 -2.480 20 0 GAADLO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001118249187 1073736042 /nfs/dbraw/zinc/73/60/42/1073736042.db2.gz JRHPLFHEGPYCRS-MGPQQGTHSA-N 1 2 387.433 -2.480 20 0 GAADLO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001118249288 1073735994 /nfs/dbraw/zinc/73/59/94/1073735994.db2.gz JRHPLFHEGPYCRS-RDBSUJKOSA-N 1 2 387.433 -2.480 20 0 GAADLO 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/nfs/dbraw/zinc/74/77/98/1073747798.db2.gz CIZFDBJUJXICQR-MRLBHPIUSA-N 1 2 382.461 -1.284 20 0 GAADLO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118331880 1073747789 /nfs/dbraw/zinc/74/77/89/1073747789.db2.gz CIZFDBJUJXICQR-MRLBHPIUSA-N 1 2 382.461 -1.284 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118331881 1073747987 /nfs/dbraw/zinc/74/79/87/1073747987.db2.gz CIZFDBJUJXICQR-RMEBNNNOSA-N 1 2 382.461 -1.284 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118331881 1073747976 /nfs/dbraw/zinc/74/79/76/1073747976.db2.gz CIZFDBJUJXICQR-RMEBNNNOSA-N 1 2 382.461 -1.284 20 0 GAADLO O=C(NCCN1CCCC1=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001118360808 1073751025 /nfs/dbraw/zinc/75/10/25/1073751025.db2.gz DFQLYDVHEDDNLO-UHFFFAOYSA-N 1 2 382.461 -1.277 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118363099 1073751674 /nfs/dbraw/zinc/75/16/74/1073751674.db2.gz KJCPYRXGHXAMLN-CYBMUJFWSA-N 1 2 376.479 -1.683 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001118363100 1073751652 /nfs/dbraw/zinc/75/16/52/1073751652.db2.gz KJCPYRXGHXAMLN-ZDUSSCGKSA-N 1 2 376.479 -1.683 20 0 GAADLO COC1(CO)CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001118406735 1073755022 /nfs/dbraw/zinc/75/50/22/1073755022.db2.gz HEYNMEHEOMHEJD-UHFFFAOYSA-N 1 2 399.488 -1.016 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC001118436490 1073756117 /nfs/dbraw/zinc/75/61/17/1073756117.db2.gz XGXVUYOKFSWLLA-CYBMUJFWSA-N 1 2 376.479 -1.731 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC001118448422 1073757565 /nfs/dbraw/zinc/75/75/65/1073757565.db2.gz FOINRDWDBHAVAD-CVEARBPZSA-N 1 2 396.488 -1.391 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001118448423 1073757604 /nfs/dbraw/zinc/75/76/04/1073757604.db2.gz FOINRDWDBHAVAD-HOTGVXAUSA-N 1 2 396.488 -1.391 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC001118448424 1073757517 /nfs/dbraw/zinc/75/75/17/1073757517.db2.gz FOINRDWDBHAVAD-HZPDHXFCSA-N 1 2 396.488 -1.391 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC001118448425 1073757629 /nfs/dbraw/zinc/75/76/29/1073757629.db2.gz FOINRDWDBHAVAD-JKSUJKDBSA-N 1 2 396.488 -1.391 20 0 GAADLO CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001118448928 1073757668 /nfs/dbraw/zinc/75/76/68/1073757668.db2.gz JVIZCXSOYXYQND-HOTGVXAUSA-N 1 2 398.504 -1.099 20 0 GAADLO CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001118448929 1073757585 /nfs/dbraw/zinc/75/75/85/1073757585.db2.gz JVIZCXSOYXYQND-JKSUJKDBSA-N 1 2 398.504 -1.099 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC001118450019 1073757691 /nfs/dbraw/zinc/75/76/91/1073757691.db2.gz SUVKPAUJCMZTIY-KBPBESRZSA-N 1 2 384.433 -1.809 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC001118450021 1073758214 /nfs/dbraw/zinc/75/82/14/1073758214.db2.gz SUVKPAUJCMZTIY-KGLIPLIRSA-N 1 2 384.433 -1.809 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC001118450022 1073758177 /nfs/dbraw/zinc/75/81/77/1073758177.db2.gz SUVKPAUJCMZTIY-UONOGXRCSA-N 1 2 384.433 -1.809 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC001118450023 1073758076 /nfs/dbraw/zinc/75/80/76/1073758076.db2.gz SUVKPAUJCMZTIY-ZIAGYGMSSA-N 1 2 384.433 -1.809 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001118450555 1073758260 /nfs/dbraw/zinc/75/82/60/1073758260.db2.gz XDOQYENGLUUPBP-ILXRZTDVSA-N 1 2 382.461 -1.735 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001118450556 1073758052 /nfs/dbraw/zinc/75/80/52/1073758052.db2.gz XDOQYENGLUUPBP-KKUMJFAQSA-N 1 2 382.461 -1.735 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001118450557 1073758274 /nfs/dbraw/zinc/75/82/74/1073758274.db2.gz XDOQYENGLUUPBP-QLFBSQMISA-N 1 2 382.461 -1.735 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001118450558 1073758139 /nfs/dbraw/zinc/75/81/39/1073758139.db2.gz XDOQYENGLUUPBP-SOUVJXGZSA-N 1 2 382.461 -1.735 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N(C)CC(=O)N2CCCC2)CC1 ZINC001118463553 1073759264 /nfs/dbraw/zinc/75/92/64/1073759264.db2.gz GRNGELXBDAFLBS-UHFFFAOYSA-N 1 2 384.477 -1.127 20 0 GAADLO CCn1cc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1 ZINC001118497100 1073761859 /nfs/dbraw/zinc/76/18/59/1073761859.db2.gz CIVJTYKWDUMSGA-UHFFFAOYSA-N 1 2 398.431 -1.060 20 0 GAADLO CO[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001118500133 1073762734 /nfs/dbraw/zinc/76/27/34/1073762734.db2.gz SQXPWCPCCNFPGQ-CYBMUJFWSA-N 1 2 391.494 -2.226 20 0 GAADLO COC(=O)NC1CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001118523188 1073765750 /nfs/dbraw/zinc/76/57/50/1073765750.db2.gz KZNJXUDNLKRQTE-AWEZNQCLSA-N 1 2 386.449 -1.515 20 0 GAADLO COC(=O)NC1CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001118523189 1073765679 /nfs/dbraw/zinc/76/56/79/1073765679.db2.gz KZNJXUDNLKRQTE-CQSZACIVSA-N 1 2 386.449 -1.515 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001118527984 1073766344 /nfs/dbraw/zinc/76/63/44/1073766344.db2.gz JEJQENZPLAKCCC-GDBMZVCRSA-N 1 2 396.488 -1.081 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001118527985 1073766168 /nfs/dbraw/zinc/76/61/68/1073766168.db2.gz JEJQENZPLAKCCC-GOEBONIOSA-N 1 2 396.488 -1.081 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001118527986 1073766285 /nfs/dbraw/zinc/76/62/85/1073766285.db2.gz JEJQENZPLAKCCC-HOCLYGCPSA-N 1 2 396.488 -1.081 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC001118527987 1073766215 /nfs/dbraw/zinc/76/62/15/1073766215.db2.gz JEJQENZPLAKCCC-ZBFHGGJFSA-N 1 2 396.488 -1.081 20 0 GAADLO CN(CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)S(C)(=O)=O ZINC001118558418 1073767982 /nfs/dbraw/zinc/76/79/82/1073767982.db2.gz BGKTZGBATOQCDB-AWEZNQCLSA-N 1 2 390.506 -1.293 20 0 GAADLO CN(CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)S(C)(=O)=O ZINC001118558429 1073768028 /nfs/dbraw/zinc/76/80/28/1073768028.db2.gz BGKTZGBATOQCDB-CQSZACIVSA-N 1 2 390.506 -1.293 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001118558697 1073767903 /nfs/dbraw/zinc/76/79/03/1073767903.db2.gz DPXOEWTUJARFQF-CYBMUJFWSA-N 1 2 394.494 -2.464 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001118558698 1073767943 /nfs/dbraw/zinc/76/79/43/1073767943.db2.gz DPXOEWTUJARFQF-ZDUSSCGKSA-N 1 2 394.494 -2.464 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC001118560021 1073768360 /nfs/dbraw/zinc/76/83/60/1073768360.db2.gz YSABQFJYLJPOKB-OKILXGFUSA-N 1 2 392.522 -1.048 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCCN(C)S(C)(=O)=O)C[C@H](C)O1 ZINC001118560021 1073768349 /nfs/dbraw/zinc/76/83/49/1073768349.db2.gz YSABQFJYLJPOKB-OKILXGFUSA-N 1 2 392.522 -1.048 20 0 GAADLO CN(C)S(=O)(=O)NCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001118606213 1073772085 /nfs/dbraw/zinc/77/20/85/1073772085.db2.gz ZBJAPUIAHLUJJW-UHFFFAOYSA-N 1 2 399.539 -1.809 20 0 GAADLO C[C@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118628925 1073775116 /nfs/dbraw/zinc/77/51/16/1073775116.db2.gz OPOMTGXLFDRWLZ-MCIONIFRSA-N 1 2 392.522 -1.002 20 0 GAADLO C[C@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118628925 1073775111 /nfs/dbraw/zinc/77/51/11/1073775111.db2.gz OPOMTGXLFDRWLZ-MCIONIFRSA-N 1 2 392.522 -1.002 20 0 GAADLO C[C@@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118628927 1073775089 /nfs/dbraw/zinc/77/50/89/1073775089.db2.gz OPOMTGXLFDRWLZ-MELADBBJSA-N 1 2 392.522 -1.002 20 0 GAADLO C[C@@H](CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001118628927 1073775083 /nfs/dbraw/zinc/77/50/83/1073775083.db2.gz OPOMTGXLFDRWLZ-MELADBBJSA-N 1 2 392.522 -1.002 20 0 GAADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001118746980 1073785858 /nfs/dbraw/zinc/78/58/58/1073785858.db2.gz UMQLARYBTSASOC-GFCCVEGCSA-N 1 2 399.477 -1.128 20 0 GAADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001118746980 1073785850 /nfs/dbraw/zinc/78/58/50/1073785850.db2.gz UMQLARYBTSASOC-GFCCVEGCSA-N 1 2 399.477 -1.128 20 0 GAADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001118746981 1073785819 /nfs/dbraw/zinc/78/58/19/1073785819.db2.gz UMQLARYBTSASOC-LBPRGKRZSA-N 1 2 399.477 -1.128 20 0 GAADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001118746981 1073785807 /nfs/dbraw/zinc/78/58/07/1073785807.db2.gz UMQLARYBTSASOC-LBPRGKRZSA-N 1 2 399.477 -1.128 20 0 GAADLO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001118815553 1073787912 /nfs/dbraw/zinc/78/79/12/1073787912.db2.gz HYRCVVHIUOBBJU-UHFFFAOYSA-N 1 2 391.428 -1.084 20 0 GAADLO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001118816963 1073788349 /nfs/dbraw/zinc/78/83/49/1073788349.db2.gz VFWTXJPOOIUFDU-AWEZNQCLSA-N 1 2 398.460 -1.505 20 0 GAADLO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001118816966 1073788382 /nfs/dbraw/zinc/78/83/82/1073788382.db2.gz VFWTXJPOOIUFDU-CQSZACIVSA-N 1 2 398.460 -1.505 20 0 GAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001118873615 1073795848 /nfs/dbraw/zinc/79/58/48/1073795848.db2.gz LXXXVGPOAKIGIJ-GOSISDBHSA-N 1 2 382.461 -1.373 20 0 GAADLO CC[NH+]1CCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001118873617 1073795911 /nfs/dbraw/zinc/79/59/11/1073795911.db2.gz LXXXVGPOAKIGIJ-SFHVURJKSA-N 1 2 382.461 -1.373 20 0 GAADLO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC001118874894 1073796311 /nfs/dbraw/zinc/79/63/11/1073796311.db2.gz GFJMBNVGCNYXMR-AWEZNQCLSA-N 1 2 390.506 -1.435 20 0 GAADLO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC001118874895 1073796532 /nfs/dbraw/zinc/79/65/32/1073796532.db2.gz GFJMBNVGCNYXMR-CQSZACIVSA-N 1 2 390.506 -1.435 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC001118876262 1073796402 /nfs/dbraw/zinc/79/64/02/1073796402.db2.gz YJVOAUQFKVYJCQ-UHFFFAOYSA-N 1 2 388.490 -1.587 20 0 GAADLO CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001118878358 1073797137 /nfs/dbraw/zinc/79/71/37/1073797137.db2.gz ALWZPFUKHBXLSJ-XBXGTLAGSA-N 1 2 378.433 -1.124 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001118885818 1073798724 /nfs/dbraw/zinc/79/87/24/1073798724.db2.gz RDBVRPPHGXETPK-MCIONIFRSA-N 1 2 387.433 -2.073 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001118885819 1073798631 /nfs/dbraw/zinc/79/86/31/1073798631.db2.gz RDBVRPPHGXETPK-RDBSUJKOSA-N 1 2 387.433 -2.073 20 0 GAADLO COC(=O)[C@@]1(N2CCN(C(=O)C(=O)N3CCn4c[nH+]cc4C3)CC2)CCOC1 ZINC001118892385 1073800929 /nfs/dbraw/zinc/80/09/29/1073800929.db2.gz BSEWXNJNAZVDOQ-GOSISDBHSA-N 1 2 391.428 -1.298 20 0 GAADLO COC(=O)[C@]1(N2CCN(C(=O)C(=O)N3CCn4c[nH+]cc4C3)CC2)CCOC1 ZINC001118892388 1073800807 /nfs/dbraw/zinc/80/08/07/1073800807.db2.gz BSEWXNJNAZVDOQ-SFHVURJKSA-N 1 2 391.428 -1.298 20 0 GAADLO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC001118898876 1073803123 /nfs/dbraw/zinc/80/31/23/1073803123.db2.gz POWCAJATOYIZGN-UHFFFAOYSA-N 1 2 392.460 -1.071 20 0 GAADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC001118904453 1073804244 /nfs/dbraw/zinc/80/42/44/1073804244.db2.gz XCGNZRDBRLVASU-UHFFFAOYSA-N 1 2 381.477 -1.215 20 0 GAADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC001118904453 1073804237 /nfs/dbraw/zinc/80/42/37/1073804237.db2.gz XCGNZRDBRLVASU-UHFFFAOYSA-N 1 2 381.477 -1.215 20 0 GAADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC001118924749 1073806451 /nfs/dbraw/zinc/80/64/51/1073806451.db2.gz UUGQGFPKNMWHCU-UHFFFAOYSA-N 1 2 389.522 -1.119 20 0 GAADLO CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001118938691 1073808666 /nfs/dbraw/zinc/80/86/66/1073808666.db2.gz LYLNIRHWAXBCKN-GFCCVEGCSA-N 1 2 382.421 -1.322 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C[C@H](C)O1 ZINC001118950298 1073809746 /nfs/dbraw/zinc/80/97/46/1073809746.db2.gz PWTLKUBRODQVCU-KPWCQOOUSA-N 1 2 380.445 -1.373 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C[C@H](C)O1 ZINC001118950298 1073809743 /nfs/dbraw/zinc/80/97/43/1073809743.db2.gz PWTLKUBRODQVCU-KPWCQOOUSA-N 1 2 380.445 -1.373 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978268 1073811675 /nfs/dbraw/zinc/81/16/75/1073811675.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978268 1073811670 /nfs/dbraw/zinc/81/16/70/1073811670.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001118978268 1073811662 /nfs/dbraw/zinc/81/16/62/1073811662.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001118978268 1073811652 /nfs/dbraw/zinc/81/16/52/1073811652.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001118978268 1073811640 /nfs/dbraw/zinc/81/16/40/1073811640.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001118978268 1073811628 /nfs/dbraw/zinc/81/16/28/1073811628.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118978268 1073811618 /nfs/dbraw/zinc/81/16/18/1073811618.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO O=C([C@@H]1CC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118978268 1073811607 /nfs/dbraw/zinc/81/16/07/1073811607.db2.gz REWLIKZUOJJCPV-TVFCKZIOSA-N 1 2 392.500 -1.433 20 0 GAADLO COCCN1CCN(C(=O)C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CC1=O ZINC001119018505 1073813934 /nfs/dbraw/zinc/81/39/34/1073813934.db2.gz NTPMJFGKCQKQNY-UHFFFAOYSA-N 1 2 395.504 -1.458 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC1 ZINC001119021252 1073813645 /nfs/dbraw/zinc/81/36/45/1073813645.db2.gz QCMPHHBVKGKVBY-OKILXGFUSA-N 1 2 396.444 -2.135 20 0 GAADLO COCCOCC[NH+]1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC001119048200 1073814449 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379.461 -1.512 20 0 GAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@@](C)(CO)C1 ZINC001119259008 1073821206 /nfs/dbraw/zinc/82/12/06/1073821206.db2.gz HAYIMWSKQJVTRB-HLLBOEOZSA-N 1 2 389.518 -1.211 20 0 GAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@@](C)(CO)C1 ZINC001119259008 1073821190 /nfs/dbraw/zinc/82/11/90/1073821190.db2.gz HAYIMWSKQJVTRB-HLLBOEOZSA-N 1 2 389.518 -1.211 20 0 GAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@](C)(CO)C1 ZINC001119259009 1073821046 /nfs/dbraw/zinc/82/10/46/1073821046.db2.gz HAYIMWSKQJVTRB-VYDXJSESSA-N 1 2 389.518 -1.211 20 0 GAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[C@](C)(CO)C1 ZINC001119259009 1073821034 /nfs/dbraw/zinc/82/10/34/1073821034.db2.gz HAYIMWSKQJVTRB-VYDXJSESSA-N 1 2 389.518 -1.211 20 0 GAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@@](C)(CO)C1 ZINC001119259010 1073821779 /nfs/dbraw/zinc/82/17/79/1073821779.db2.gz HAYIMWSKQJVTRB-YQQAZPJKSA-N 1 2 389.518 -1.211 20 0 GAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@@](C)(CO)C1 ZINC001119259010 1073821769 /nfs/dbraw/zinc/82/17/69/1073821769.db2.gz HAYIMWSKQJVTRB-YQQAZPJKSA-N 1 2 389.518 -1.211 20 0 GAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@](C)(CO)C1 ZINC001119259011 1073821680 /nfs/dbraw/zinc/82/16/80/1073821680.db2.gz HAYIMWSKQJVTRB-ZOBUZTSGSA-N 1 2 389.518 -1.211 20 0 GAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[C@](C)(CO)C1 ZINC001119259011 1073821665 /nfs/dbraw/zinc/82/16/65/1073821665.db2.gz HAYIMWSKQJVTRB-ZOBUZTSGSA-N 1 2 389.518 -1.211 20 0 GAADLO O=C1CCN(CCOCC[N@H+]2CCC(=O)NCC23COC3)C2(COC2)CN1 ZINC001119325471 1073822418 /nfs/dbraw/zinc/82/24/18/1073822418.db2.gz MAPFKJVTBZZHRQ-UHFFFAOYSA-N 1 2 382.461 -1.815 20 0 GAADLO O=C1CCN(CCOCC[N@@H+]2CCC(=O)NCC23COC3)C2(COC2)CN1 ZINC001119325471 1073822401 /nfs/dbraw/zinc/82/24/01/1073822401.db2.gz MAPFKJVTBZZHRQ-UHFFFAOYSA-N 1 2 382.461 -1.815 20 0 GAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C(=O)NCCO)CC1 ZINC001119327770 1073822600 /nfs/dbraw/zinc/82/26/00/1073822600.db2.gz KRBFDGODUQDXCY-JTQLQIEISA-N 1 2 381.433 -1.942 20 0 GAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(C(=O)NCCO)CC1 ZINC001119327771 1073823226 /nfs/dbraw/zinc/82/32/26/1073823226.db2.gz KRBFDGODUQDXCY-SNVBAGLBSA-N 1 2 381.433 -1.942 20 0 GAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(C2CS(=O)(=O)C2)C1 ZINC001119638115 1073826515 /nfs/dbraw/zinc/82/65/15/1073826515.db2.gz LXVPWUVCGLMTGP-CYBMUJFWSA-N 1 2 385.486 -1.330 20 0 GAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC(C2CS(=O)(=O)C2)C1 ZINC001119638117 1073826549 /nfs/dbraw/zinc/82/65/49/1073826549.db2.gz LXVPWUVCGLMTGP-ZDUSSCGKSA-N 1 2 385.486 -1.330 20 0 GAADLO CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001119878011 1073830153 /nfs/dbraw/zinc/83/01/53/1073830153.db2.gz CIWMRFPGYMGGNN-HUUCEWRRSA-N 1 2 385.461 -1.096 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CC(=O)N(C)C2)CC1 ZINC001120408700 1073836522 /nfs/dbraw/zinc/83/65/22/1073836522.db2.gz XKCORXVQZVLYEE-AWEZNQCLSA-N 1 2 384.477 -1.223 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CC(=O)N(C)C2)CC1 ZINC001120408701 1073836428 /nfs/dbraw/zinc/83/64/28/1073836428.db2.gz XKCORXVQZVLYEE-CQSZACIVSA-N 1 2 384.477 -1.223 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CN(C(C)=O)C[C@H]3C2)CC1 ZINC001120457815 1073838277 /nfs/dbraw/zinc/83/82/77/1073838277.db2.gz OYQHDTDAHHCYRK-IYBDPMFKSA-N 1 2 396.488 -1.271 20 0 GAADLO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120514448 1073840370 /nfs/dbraw/zinc/84/03/70/1073840370.db2.gz GKUXREVGABRHEY-DLBZAZTESA-N 1 2 397.520 -1.654 20 0 GAADLO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120514449 1073840079 /nfs/dbraw/zinc/84/00/79/1073840079.db2.gz GKUXREVGABRHEY-IAGOWNOFSA-N 1 2 397.520 -1.654 20 0 GAADLO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120514450 1073840494 /nfs/dbraw/zinc/84/04/94/1073840494.db2.gz GKUXREVGABRHEY-IRXDYDNUSA-N 1 2 397.520 -1.654 20 0 GAADLO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001120514451 1073840262 /nfs/dbraw/zinc/84/02/62/1073840262.db2.gz GKUXREVGABRHEY-SJORKVTESA-N 1 2 397.520 -1.654 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@]3(C)C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001121279365 1073841684 /nfs/dbraw/zinc/84/16/84/1073841684.db2.gz SCZFCPGSSTWGBA-DOMZBBRYSA-N 1 2 387.510 -1.345 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@]3(C)C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001121279365 1073841675 /nfs/dbraw/zinc/84/16/75/1073841675.db2.gz SCZFCPGSSTWGBA-DOMZBBRYSA-N 1 2 387.510 -1.345 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@H+]3C)n2C)CC1 ZINC001121279369 1073841489 /nfs/dbraw/zinc/84/14/89/1073841489.db2.gz SCZFCPGSSTWGBA-IUODEOHRSA-N 1 2 387.510 -1.345 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@@]3(C)C[C@@H](O)C[N@@H+]3C)n2C)CC1 ZINC001121279369 1073841482 /nfs/dbraw/zinc/84/14/82/1073841482.db2.gz SCZFCPGSSTWGBA-IUODEOHRSA-N 1 2 387.510 -1.345 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@@]3(C)C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001121279372 1073841505 /nfs/dbraw/zinc/84/15/05/1073841505.db2.gz SCZFCPGSSTWGBA-SWLSCSKDSA-N 1 2 387.510 -1.345 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@@]3(C)C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001121279372 1073841499 /nfs/dbraw/zinc/84/14/99/1073841499.db2.gz SCZFCPGSSTWGBA-SWLSCSKDSA-N 1 2 387.510 -1.345 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@]3(C)C[C@H](O)C[N@H+]3C)n2C)CC1 ZINC001121279374 1073841447 /nfs/dbraw/zinc/84/14/47/1073841447.db2.gz SCZFCPGSSTWGBA-WFASDCNBSA-N 1 2 387.510 -1.345 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(c2nnc([C@]3(C)C[C@H](O)C[N@@H+]3C)n2C)CC1 ZINC001121279374 1073841443 /nfs/dbraw/zinc/84/14/43/1073841443.db2.gz SCZFCPGSSTWGBA-WFASDCNBSA-N 1 2 387.510 -1.345 20 0 GAADLO CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877296 1073842925 /nfs/dbraw/zinc/84/29/25/1073842925.db2.gz KQJBURQDKNRPED-CABCVRRESA-N 1 2 395.508 -1.080 20 0 GAADLO CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877296 1073842913 /nfs/dbraw/zinc/84/29/13/1073842913.db2.gz KQJBURQDKNRPED-CABCVRRESA-N 1 2 395.508 -1.080 20 0 GAADLO CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877297 1073843046 /nfs/dbraw/zinc/84/30/46/1073843046.db2.gz KQJBURQDKNRPED-GJZGRUSLSA-N 1 2 395.508 -1.080 20 0 GAADLO CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877297 1073843030 /nfs/dbraw/zinc/84/30/30/1073843030.db2.gz KQJBURQDKNRPED-GJZGRUSLSA-N 1 2 395.508 -1.080 20 0 GAADLO CCn1c([C@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877298 1073842816 /nfs/dbraw/zinc/84/28/16/1073842816.db2.gz KQJBURQDKNRPED-HUUCEWRRSA-N 1 2 395.508 -1.080 20 0 GAADLO CCn1c([C@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877298 1073842810 /nfs/dbraw/zinc/84/28/10/1073842810.db2.gz KQJBURQDKNRPED-HUUCEWRRSA-N 1 2 395.508 -1.080 20 0 GAADLO CCn1c([C@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877299 1073843124 /nfs/dbraw/zinc/84/31/24/1073843124.db2.gz KQJBURQDKNRPED-LSDHHAIUSA-N 1 2 395.508 -1.080 20 0 GAADLO CCn1c([C@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001121877299 1073843098 /nfs/dbraw/zinc/84/30/98/1073843098.db2.gz KQJBURQDKNRPED-LSDHHAIUSA-N 1 2 395.508 -1.080 20 0 GAADLO COCCn1c(C[NH+]2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001122442813 1073845988 /nfs/dbraw/zinc/84/59/88/1073845988.db2.gz ARCASVDUFHXORF-CYBMUJFWSA-N 1 2 377.449 -1.333 20 0 GAADLO COCCn1c(C[NH+]2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001122442815 1073845862 /nfs/dbraw/zinc/84/58/62/1073845862.db2.gz ARCASVDUFHXORF-ZDUSSCGKSA-N 1 2 377.449 -1.333 20 0 GAADLO CCS(=O)(=O)N1CCN(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)CC1 ZINC001123377985 1073848070 /nfs/dbraw/zinc/84/80/70/1073848070.db2.gz DXNDLCAUWGZCBR-UHFFFAOYSA-N 1 2 399.521 -1.016 20 0 GAADLO CS(=O)(=O)CC1(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)COC1 ZINC001123570312 1073848924 /nfs/dbraw/zinc/84/89/24/1073848924.db2.gz FIKWWWRYKVITKL-AWEZNQCLSA-N 1 2 375.491 -1.430 20 0 GAADLO CS(=O)(=O)CC1(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)COC1 ZINC001123570316 1073848642 /nfs/dbraw/zinc/84/86/42/1073848642.db2.gz FIKWWWRYKVITKL-CQSZACIVSA-N 1 2 375.491 -1.430 20 0 GAADLO COCCNC(=O)CN1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001123615050 1073848968 /nfs/dbraw/zinc/84/89/68/1073848968.db2.gz SXMVFQAPMJOFHY-UHFFFAOYSA-N 1 2 399.492 -1.475 20 0 GAADLO COCCNC(=O)CN1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001123615050 1073848954 /nfs/dbraw/zinc/84/89/54/1073848954.db2.gz SXMVFQAPMJOFHY-UHFFFAOYSA-N 1 2 399.492 -1.475 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123693558 1073848723 /nfs/dbraw/zinc/84/87/23/1073848723.db2.gz BCSYYVZTQRTSPQ-CABCVRRESA-N 1 2 382.509 -1.001 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123693558 1073848707 /nfs/dbraw/zinc/84/87/07/1073848707.db2.gz BCSYYVZTQRTSPQ-CABCVRRESA-N 1 2 382.509 -1.001 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123693559 1073848902 /nfs/dbraw/zinc/84/89/02/1073848902.db2.gz BCSYYVZTQRTSPQ-GJZGRUSLSA-N 1 2 382.509 -1.001 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123693559 1073848888 /nfs/dbraw/zinc/84/88/88/1073848888.db2.gz BCSYYVZTQRTSPQ-GJZGRUSLSA-N 1 2 382.509 -1.001 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123693560 1073848809 /nfs/dbraw/zinc/84/88/09/1073848809.db2.gz BCSYYVZTQRTSPQ-HUUCEWRRSA-N 1 2 382.509 -1.001 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123693560 1073848793 /nfs/dbraw/zinc/84/87/93/1073848793.db2.gz BCSYYVZTQRTSPQ-HUUCEWRRSA-N 1 2 382.509 -1.001 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123693561 1073849067 /nfs/dbraw/zinc/84/90/67/1073849067.db2.gz BCSYYVZTQRTSPQ-LSDHHAIUSA-N 1 2 382.509 -1.001 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123693561 1073849057 /nfs/dbraw/zinc/84/90/57/1073849057.db2.gz BCSYYVZTQRTSPQ-LSDHHAIUSA-N 1 2 382.509 -1.001 20 0 GAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123793871 1073849659 /nfs/dbraw/zinc/84/96/59/1073849659.db2.gz FRAQRNVYIIDZSY-KBPBESRZSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123793871 1073849653 /nfs/dbraw/zinc/84/96/53/1073849653.db2.gz FRAQRNVYIIDZSY-KBPBESRZSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123793876 1073849727 /nfs/dbraw/zinc/84/97/27/1073849727.db2.gz FRAQRNVYIIDZSY-KGLIPLIRSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123793876 1073849723 /nfs/dbraw/zinc/84/97/23/1073849723.db2.gz FRAQRNVYIIDZSY-KGLIPLIRSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123793878 1073849699 /nfs/dbraw/zinc/84/96/99/1073849699.db2.gz FRAQRNVYIIDZSY-UONOGXRCSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123793878 1073849695 /nfs/dbraw/zinc/84/96/95/1073849695.db2.gz FRAQRNVYIIDZSY-UONOGXRCSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123793880 1073849572 /nfs/dbraw/zinc/84/95/72/1073849572.db2.gz FRAQRNVYIIDZSY-ZIAGYGMSSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123793880 1073849566 /nfs/dbraw/zinc/84/95/66/1073849566.db2.gz FRAQRNVYIIDZSY-ZIAGYGMSSA-N 1 2 376.527 -1.246 20 0 GAADLO C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123794594 1073850058 /nfs/dbraw/zinc/85/00/58/1073850058.db2.gz MXNBXPJEHUCDDL-DLBZAZTESA-N 1 2 396.536 -1.193 20 0 GAADLO C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123794594 1073850045 /nfs/dbraw/zinc/85/00/45/1073850045.db2.gz MXNBXPJEHUCDDL-DLBZAZTESA-N 1 2 396.536 -1.193 20 0 GAADLO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123794595 1073849958 /nfs/dbraw/zinc/84/99/58/1073849958.db2.gz MXNBXPJEHUCDDL-IAGOWNOFSA-N 1 2 396.536 -1.193 20 0 GAADLO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123794595 1073849947 /nfs/dbraw/zinc/84/99/47/1073849947.db2.gz MXNBXPJEHUCDDL-IAGOWNOFSA-N 1 2 396.536 -1.193 20 0 GAADLO C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123794596 1073849608 /nfs/dbraw/zinc/84/96/08/1073849608.db2.gz MXNBXPJEHUCDDL-IRXDYDNUSA-N 1 2 396.536 -1.193 20 0 GAADLO C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123794596 1073849603 /nfs/dbraw/zinc/84/96/03/1073849603.db2.gz MXNBXPJEHUCDDL-IRXDYDNUSA-N 1 2 396.536 -1.193 20 0 GAADLO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123794597 1073849767 /nfs/dbraw/zinc/84/97/67/1073849767.db2.gz MXNBXPJEHUCDDL-SJORKVTESA-N 1 2 396.536 -1.193 20 0 GAADLO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123794597 1073849760 /nfs/dbraw/zinc/84/97/60/1073849760.db2.gz MXNBXPJEHUCDDL-SJORKVTESA-N 1 2 396.536 -1.193 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001123921861 1073850796 /nfs/dbraw/zinc/85/07/96/1073850796.db2.gz NQUSIWOZSREHTH-KLHDSHLOSA-N 1 2 377.445 -1.157 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001123921862 1073850538 /nfs/dbraw/zinc/85/05/38/1073850538.db2.gz NQUSIWOZSREHTH-ZJIFWQFVSA-N 1 2 377.445 -1.157 20 0 GAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001123969131 1073850761 /nfs/dbraw/zinc/85/07/61/1073850761.db2.gz PLBDXFURUJAYRC-APWZRJJASA-N 1 2 396.488 -1.927 20 0 GAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001123969134 1073850860 /nfs/dbraw/zinc/85/08/60/1073850860.db2.gz PLBDXFURUJAYRC-LPHOPBHVSA-N 1 2 396.488 -1.927 20 0 GAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2CCOC[C@]2(CO)C1 ZINC001123969136 1073850734 /nfs/dbraw/zinc/85/07/34/1073850734.db2.gz PLBDXFURUJAYRC-QFBILLFUSA-N 1 2 396.488 -1.927 20 0 GAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2CCOC[C@]2(CO)C1 ZINC001123969139 1073850816 /nfs/dbraw/zinc/85/08/16/1073850816.db2.gz PLBDXFURUJAYRC-VQIMIIECSA-N 1 2 396.488 -1.927 20 0 GAADLO CS(=O)(=O)CC1(C(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)COC1 ZINC001123991999 1073851160 /nfs/dbraw/zinc/85/11/60/1073851160.db2.gz WHGFNOIFMBARRI-HNNXBMFYSA-N 1 2 389.518 -1.040 20 0 GAADLO CS(=O)(=O)CC1(C(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)COC1 ZINC001123992000 1073851249 /nfs/dbraw/zinc/85/12/49/1073851249.db2.gz WHGFNOIFMBARRI-OAHLLOKOSA-N 1 2 389.518 -1.040 20 0 GAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001124761018 1074712007 /nfs/dbraw/zinc/71/20/07/1074712007.db2.gz NOFRXZHTRAITPM-AWEZNQCLSA-N 1 2 394.453 -1.074 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129054360 1074866403 /nfs/dbraw/zinc/86/64/03/1074866403.db2.gz DARADLWEAZQIAT-UKMLZYKCSA-N 1 2 392.460 -1.050 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129054360 1074866400 /nfs/dbraw/zinc/86/64/00/1074866400.db2.gz DARADLWEAZQIAT-UKMLZYKCSA-N 1 2 392.460 -1.050 20 0 GAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001129261460 1074870211 /nfs/dbraw/zinc/87/02/11/1074870211.db2.gz CPOVXXHJYQQEDS-BARDWOONSA-N 1 2 391.476 -1.001 20 0 GAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001129261460 1074870209 /nfs/dbraw/zinc/87/02/09/1074870209.db2.gz CPOVXXHJYQQEDS-BARDWOONSA-N 1 2 391.476 -1.001 20 0 GAADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129262005 1074870179 /nfs/dbraw/zinc/87/01/79/1074870179.db2.gz KXJNDTQKGZCHIG-RQJABVFESA-N 1 2 377.449 -1.392 20 0 GAADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129262005 1074870174 /nfs/dbraw/zinc/87/01/74/1074870174.db2.gz KXJNDTQKGZCHIG-RQJABVFESA-N 1 2 377.449 -1.392 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129262498 1074870606 /nfs/dbraw/zinc/87/06/06/1074870606.db2.gz QUDLLSKDKFRSJV-RQJABVFESA-N 1 2 377.449 -1.391 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129262498 1074870603 /nfs/dbraw/zinc/87/06/03/1074870603.db2.gz QUDLLSKDKFRSJV-RQJABVFESA-N 1 2 377.449 -1.391 20 0 GAADLO CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129266819 1074870946 /nfs/dbraw/zinc/87/09/46/1074870946.db2.gz RNTYIIBMRNGUOR-YJNKXOJESA-N 1 2 391.476 -1.178 20 0 GAADLO CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129266819 1074870943 /nfs/dbraw/zinc/87/09/43/1074870943.db2.gz RNTYIIBMRNGUOR-YJNKXOJESA-N 1 2 391.476 -1.178 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](n2ccnn2)C1 ZINC001129271780 1074870918 /nfs/dbraw/zinc/87/09/18/1074870918.db2.gz NTVRANMUAJRCJL-ZSAUSMIDSA-N 1 2 398.489 -1.264 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](n2ccnn2)C1 ZINC001129271780 1074870916 /nfs/dbraw/zinc/87/09/16/1074870916.db2.gz NTVRANMUAJRCJL-ZSAUSMIDSA-N 1 2 398.489 -1.264 20 0 GAADLO CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271793 1074870997 /nfs/dbraw/zinc/87/09/97/1074870997.db2.gz PFXRSLIWWTYVQN-RQJABVFESA-N 1 2 392.464 -1.551 20 0 GAADLO CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271793 1074870992 /nfs/dbraw/zinc/87/09/92/1074870992.db2.gz PFXRSLIWWTYVQN-RQJABVFESA-N 1 2 392.464 -1.551 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129271830 1074870905 /nfs/dbraw/zinc/87/09/05/1074870905.db2.gz QVUCUKZDVDXGAC-RQJABVFESA-N 1 2 375.433 -1.733 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129271830 1074870902 /nfs/dbraw/zinc/87/09/02/1074870902.db2.gz QVUCUKZDVDXGAC-RQJABVFESA-N 1 2 375.433 -1.733 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271984 1074870980 /nfs/dbraw/zinc/87/09/80/1074870980.db2.gz UEFJZMLVLQEAMN-KXNHARMFSA-N 1 2 385.450 -2.710 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271984 1074870977 /nfs/dbraw/zinc/87/09/77/1074870977.db2.gz UEFJZMLVLQEAMN-KXNHARMFSA-N 1 2 385.450 -2.710 20 0 GAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129271987 1074870893 /nfs/dbraw/zinc/87/08/93/1074870893.db2.gz UIZXXBVSEPERMG-BARDWOONSA-N 1 2 389.460 -1.248 20 0 GAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129271987 1074870888 /nfs/dbraw/zinc/87/08/88/1074870888.db2.gz UIZXXBVSEPERMG-BARDWOONSA-N 1 2 389.460 -1.248 20 0 GAADLO CN(C)C(=O)Cn1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)nn1 ZINC001129554710 1075019319 /nfs/dbraw/zinc/01/93/19/1075019319.db2.gz BWKZZCRMUNKNLT-UHFFFAOYSA-N 1 2 380.449 -1.023 20 0 GAADLO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2COC3)n[nH]1 ZINC001130209490 1075024475 /nfs/dbraw/zinc/02/44/75/1075024475.db2.gz COLWBOHAUVFEDO-UWCDFFNFSA-N 1 2 378.433 -1.335 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)n2)C1 ZINC001130212981 1075024515 /nfs/dbraw/zinc/02/45/15/1075024515.db2.gz NNSSSJKENNPICW-KXNHARMFSA-N 1 2 393.448 -1.717 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)n1 ZINC001130216383 1075024713 /nfs/dbraw/zinc/02/47/13/1075024713.db2.gz VVVUAZUTAOFLLN-RMIALFOJSA-N 1 2 382.421 -1.828 20 0 GAADLO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n[nH]1 ZINC001130240468 1075024970 /nfs/dbraw/zinc/02/49/70/1075024970.db2.gz QCCMRLYYBOUQIL-FHUSYTEZSA-N 1 2 378.433 -1.064 20 0 GAADLO C[C@H]1CC(=O)N[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CC(N)=O)O3)n[nH]2)C1 ZINC001130783433 1075027778 /nfs/dbraw/zinc/02/77/78/1075027778.db2.gz XQZWMFGUKWIICZ-WRWGMCAJSA-N 1 2 393.448 -1.369 20 0 GAADLO C[C@@H]1OCCO[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130787161 1075027733 /nfs/dbraw/zinc/02/77/33/1075027733.db2.gz BYMSXJWKDBSODZ-DYNIEEOBSA-N 1 2 382.421 -1.480 20 0 GAADLO NC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)n2)O1 ZINC001130804548 1075027673 /nfs/dbraw/zinc/02/76/73/1075027673.db2.gz JFCJXAWYJZKRRN-NOOOWODRSA-N 1 2 393.448 -1.383 20 0 GAADLO CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)O1 ZINC001130804844 1075027765 /nfs/dbraw/zinc/02/77/65/1075027765.db2.gz POESMQLEXPOPAY-WHOHXGKFSA-N 1 2 393.448 -1.512 20 0 GAADLO CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)O1 ZINC001130805171 1075027703 /nfs/dbraw/zinc/02/77/03/1075027703.db2.gz WGJPYYAOCUVTLF-WHOHXGKFSA-N 1 2 393.448 -1.560 20 0 GAADLO CNC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)O1 ZINC001130805175 1075028129 /nfs/dbraw/zinc/02/81/29/1075028129.db2.gz WLNFHOCVDOWQIC-ZRUFSTJUSA-N 1 2 379.421 -1.902 20 0 GAADLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC(N)=O)O2)n[nH]1 ZINC001130805404 1075027938 /nfs/dbraw/zinc/02/79/38/1075027938.db2.gz ZZWDNYYLEBEKRP-NNYUYHANSA-N 1 2 393.448 -1.560 20 0 GAADLO NC(=O)C1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCS(=O)(=O)CC1 ZINC001132753205 1075035534 /nfs/dbraw/zinc/03/55/34/1075035534.db2.gz HXHMNZPCQLMFQF-OLZOCXBDSA-N 1 2 389.474 -1.585 20 0 GAADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCO)CC1 ZINC001136171206 1075045426 /nfs/dbraw/zinc/04/54/26/1075045426.db2.gz FLQSKVQFDNTKDL-AAEUAGOBSA-N 1 2 377.488 -1.088 20 0 GAADLO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCO)CC1 ZINC001136171207 1075045420 /nfs/dbraw/zinc/04/54/20/1075045420.db2.gz FLQSKVQFDNTKDL-DGCLKSJQSA-N 1 2 377.488 -1.088 20 0 GAADLO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCO)CC1 ZINC001136171208 1075045452 /nfs/dbraw/zinc/04/54/52/1075045452.db2.gz FLQSKVQFDNTKDL-WCQYABFASA-N 1 2 377.488 -1.088 20 0 GAADLO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[NH+](CCO)CC1 ZINC001136171209 1075045385 /nfs/dbraw/zinc/04/53/85/1075045385.db2.gz FLQSKVQFDNTKDL-YPMHNXCESA-N 1 2 377.488 -1.088 20 0 GAADLO Cc1nc(N)nc(C)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201811 1075045762 /nfs/dbraw/zinc/04/57/62/1075045762.db2.gz XIQALRNEHRSEOK-UHFFFAOYSA-N 1 2 397.505 -1.074 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001136317214 1075047425 /nfs/dbraw/zinc/04/74/25/1075047425.db2.gz HEHQLOWXTCYMAD-GFCCVEGCSA-N 1 2 376.460 -1.387 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001136317215 1075047507 /nfs/dbraw/zinc/04/75/07/1075047507.db2.gz HEHQLOWXTCYMAD-LBPRGKRZSA-N 1 2 376.460 -1.387 20 0 GAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001136659707 1075050379 /nfs/dbraw/zinc/05/03/79/1075050379.db2.gz OADMIPIJRFVSIS-CQSZACIVSA-N 1 2 392.464 -1.666 20 0 GAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001136659707 1075050374 /nfs/dbraw/zinc/05/03/74/1075050374.db2.gz OADMIPIJRFVSIS-CQSZACIVSA-N 1 2 392.464 -1.666 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001136672429 1075050487 /nfs/dbraw/zinc/05/04/87/1075050487.db2.gz NJQQBYVJGGRULL-NMFUWQPSSA-N 1 2 378.433 -2.024 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001136672429 1075050484 /nfs/dbraw/zinc/05/04/84/1075050484.db2.gz NJQQBYVJGGRULL-NMFUWQPSSA-N 1 2 378.433 -2.024 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001136672430 1075050390 /nfs/dbraw/zinc/05/03/90/1075050390.db2.gz NJQQBYVJGGRULL-ZGKBOVNRSA-N 1 2 378.433 -2.024 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001136672430 1075050387 /nfs/dbraw/zinc/05/03/87/1075050387.db2.gz NJQQBYVJGGRULL-ZGKBOVNRSA-N 1 2 378.433 -2.024 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001136948634 1075052017 /nfs/dbraw/zinc/05/20/17/1075052017.db2.gz FDLHIEORUKOVGV-NEPJUHHUSA-N 1 2 388.446 -3.051 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001136948635 1075052052 /nfs/dbraw/zinc/05/20/52/1075052052.db2.gz FDLHIEORUKOVGV-RYUDHWBXSA-N 1 2 388.446 -3.051 20 0 GAADLO O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001136949333 1075052342 /nfs/dbraw/zinc/05/23/42/1075052342.db2.gz RVJKFKRZKLJRHG-BFHYXJOUSA-N 1 2 395.485 -1.039 20 0 GAADLO O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001136949333 1075052339 /nfs/dbraw/zinc/05/23/39/1075052339.db2.gz RVJKFKRZKLJRHG-BFHYXJOUSA-N 1 2 395.485 -1.039 20 0 GAADLO O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001136949334 1075052388 /nfs/dbraw/zinc/05/23/88/1075052388.db2.gz RVJKFKRZKLJRHG-MGPQQGTHSA-N 1 2 395.485 -1.039 20 0 GAADLO O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001136949334 1075052385 /nfs/dbraw/zinc/05/23/85/1075052385.db2.gz RVJKFKRZKLJRHG-MGPQQGTHSA-N 1 2 395.485 -1.039 20 0 GAADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136949439 1075052332 /nfs/dbraw/zinc/05/23/32/1075052332.db2.gz VAFZXOPBBRTTRE-CYBMUJFWSA-N 1 2 399.473 -1.429 20 0 GAADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136949440 1075052308 /nfs/dbraw/zinc/05/23/08/1075052308.db2.gz VAFZXOPBBRTTRE-ZDUSSCGKSA-N 1 2 399.473 -1.429 20 0 GAADLO O=C(CN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001136949562 1075052321 /nfs/dbraw/zinc/05/23/21/1075052321.db2.gz YFSVJXHNUNNCKM-CYBMUJFWSA-N 1 2 383.474 -1.210 20 0 GAADLO O=C(CN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001136949563 1075052314 /nfs/dbraw/zinc/05/23/14/1075052314.db2.gz YFSVJXHNUNNCKM-ZDUSSCGKSA-N 1 2 383.474 -1.210 20 0 GAADLO CNS(=O)(=O)N1CCC(C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1 ZINC001136962754 1075052635 /nfs/dbraw/zinc/05/26/35/1075052635.db2.gz XVZPNPZHAQSIPW-UHFFFAOYSA-N 1 2 385.494 -1.402 20 0 GAADLO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001137047493 1075053459 /nfs/dbraw/zinc/05/34/59/1075053459.db2.gz WBAUGPBKNGMWTE-UHFFFAOYSA-N 1 2 375.433 -1.012 20 0 GAADLO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001137351620 1073480648 /nfs/dbraw/zinc/48/06/48/1073480648.db2.gz FWOGHHLFOKSFJK-OLZOCXBDSA-N 1 2 375.447 -2.151 20 0 GAADLO O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001137351621 1073480735 /nfs/dbraw/zinc/48/07/35/1073480735.db2.gz FWOGHHLFOKSFJK-STQMWFEESA-N 1 2 375.447 -2.151 20 0 GAADLO CS(=O)(=O)CC1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)COC1 ZINC001137352724 1073480694 /nfs/dbraw/zinc/48/06/94/1073480694.db2.gz ZVMAIWLCOABIMU-AWEZNQCLSA-N 1 2 376.475 -1.003 20 0 GAADLO CS(=O)(=O)CC1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)COC1 ZINC001137352725 1073480585 /nfs/dbraw/zinc/48/05/85/1073480585.db2.gz ZVMAIWLCOABIMU-CQSZACIVSA-N 1 2 376.475 -1.003 20 0 GAADLO CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001139716022 1073861694 /nfs/dbraw/zinc/86/16/94/1073861694.db2.gz JMZXOHOJDJKLEC-CABCVRRESA-N 1 2 390.506 -1.089 20 0 GAADLO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3c[nH]nc3S(N)(=O)=O)CC2)CC1 ZINC001141645550 1073873691 /nfs/dbraw/zinc/87/36/91/1073873691.db2.gz HCZPTBBJRMFFPP-UHFFFAOYSA-N 1 2 384.462 -1.317 20 0 GAADLO CC(C)(O)[C@@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001141693667 1073874361 /nfs/dbraw/zinc/87/43/61/1073874361.db2.gz CQIQSXYSQALTJA-AWEZNQCLSA-N 1 2 386.474 -1.219 20 0 GAADLO CC(C)(O)[C@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001141693668 1073874505 /nfs/dbraw/zinc/87/45/05/1073874505.db2.gz CQIQSXYSQALTJA-CQSZACIVSA-N 1 2 386.474 -1.219 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1ccccc1=O ZINC001141923785 1073876327 /nfs/dbraw/zinc/87/63/27/1073876327.db2.gz GYARHBXISMKMCP-KBPBESRZSA-N 1 2 386.412 -1.225 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1ccccc1=O ZINC001141923785 1073876317 /nfs/dbraw/zinc/87/63/17/1073876317.db2.gz GYARHBXISMKMCP-KBPBESRZSA-N 1 2 386.412 -1.225 20 0 GAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)Cn1cccnc1=O)CC2 ZINC001141935579 1073877005 /nfs/dbraw/zinc/87/70/05/1073877005.db2.gz DNVCPFFUPLGFAF-UHFFFAOYSA-N 1 2 399.455 -1.051 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cccnc1=O ZINC001141963010 1073876930 /nfs/dbraw/zinc/87/69/30/1073876930.db2.gz NWVPOGSCIBVMSU-STQMWFEESA-N 1 2 387.400 -1.830 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cccnc1=O ZINC001141963010 1073876920 /nfs/dbraw/zinc/87/69/20/1073876920.db2.gz NWVPOGSCIBVMSU-STQMWFEESA-N 1 2 387.400 -1.830 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)o1 ZINC001142007465 1073877778 /nfs/dbraw/zinc/87/77/78/1073877778.db2.gz IYENDIXHDGPPEF-RYUDHWBXSA-N 1 2 375.389 -1.153 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)o1 ZINC001142007465 1073877762 /nfs/dbraw/zinc/87/77/62/1073877762.db2.gz IYENDIXHDGPPEF-RYUDHWBXSA-N 1 2 375.389 -1.153 20 0 GAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142088948 1073879169 /nfs/dbraw/zinc/87/91/69/1073879169.db2.gz ODFQDNHBHGWZID-PXAZEXFGSA-N 1 2 382.417 -1.207 20 0 GAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142088949 1073879003 /nfs/dbraw/zinc/87/90/03/1073879003.db2.gz ODFQDNHBHGWZID-SJCJKPOMSA-N 1 2 382.417 -1.207 20 0 GAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142088950 1073879124 /nfs/dbraw/zinc/87/91/24/1073879124.db2.gz ODFQDNHBHGWZID-SJKOYZFVSA-N 1 2 382.417 -1.207 20 0 GAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CN1CC(=O)NC1=O ZINC001142088951 1073878950 /nfs/dbraw/zinc/87/89/50/1073878950.db2.gz ODFQDNHBHGWZID-YVEFUNNKSA-N 1 2 382.417 -1.207 20 0 GAADLO O=C(CN1CC(=O)NC1=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001142089153 1073879437 /nfs/dbraw/zinc/87/94/37/1073879437.db2.gz SWQXHZYZZFRVFG-UHFFFAOYSA-N 1 2 385.384 -1.228 20 0 GAADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001142089372 1073879853 /nfs/dbraw/zinc/87/98/53/1073879853.db2.gz WJHGZWWYIHGBIN-KRWDZBQOSA-N 1 2 381.433 -1.775 20 0 GAADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001142089372 1073879840 /nfs/dbraw/zinc/87/98/40/1073879840.db2.gz WJHGZWWYIHGBIN-KRWDZBQOSA-N 1 2 381.433 -1.775 20 0 GAADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001142089373 1073879469 /nfs/dbraw/zinc/87/94/69/1073879469.db2.gz WJHGZWWYIHGBIN-QGZVFWFLSA-N 1 2 381.433 -1.775 20 0 GAADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 ZINC001142089373 1073879457 /nfs/dbraw/zinc/87/94/57/1073879457.db2.gz WJHGZWWYIHGBIN-QGZVFWFLSA-N 1 2 381.433 -1.775 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CC(=O)NC1=O ZINC001142096951 1073879763 /nfs/dbraw/zinc/87/97/63/1073879763.db2.gz PBQKVRRYJINMBO-QWRGUYRKSA-N 1 2 391.388 -2.535 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CC(=O)NC1=O ZINC001142096951 1073879751 /nfs/dbraw/zinc/87/97/51/1073879751.db2.gz PBQKVRRYJINMBO-QWRGUYRKSA-N 1 2 391.388 -2.535 20 0 GAADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)Cn1cnnn1)C2 ZINC001142136971 1073880283 /nfs/dbraw/zinc/88/02/83/1073880283.db2.gz QSJTXVNJSPPJQM-AWEZNQCLSA-N 1 2 390.448 -1.119 20 0 GAADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)Cn1cnnn1)C2 ZINC001142136972 1073880209 /nfs/dbraw/zinc/88/02/09/1073880209.db2.gz QSJTXVNJSPPJQM-CQSZACIVSA-N 1 2 390.448 -1.119 20 0 GAADLO O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001142372864 1073883444 /nfs/dbraw/zinc/88/34/44/1073883444.db2.gz XAZAPDFPCADVQS-BILABAOKSA-N 1 2 389.408 -1.139 20 0 GAADLO O=C(/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001142372865 1073883304 /nfs/dbraw/zinc/88/33/04/1073883304.db2.gz XAZAPDFPCADVQS-CNLDIXMKSA-N 1 2 389.408 -1.139 20 0 GAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388585 1073884340 /nfs/dbraw/zinc/88/43/40/1073884340.db2.gz RFHAEPNFOLXEJP-JTQLQIEISA-N 1 2 378.389 -2.251 20 0 GAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388585 1073884327 /nfs/dbraw/zinc/88/43/27/1073884327.db2.gz RFHAEPNFOLXEJP-JTQLQIEISA-N 1 2 378.389 -2.251 20 0 GAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388586 1073884232 /nfs/dbraw/zinc/88/42/32/1073884232.db2.gz RFHAEPNFOLXEJP-SNVBAGLBSA-N 1 2 378.389 -2.251 20 0 GAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388586 1073884219 /nfs/dbraw/zinc/88/42/19/1073884219.db2.gz RFHAEPNFOLXEJP-SNVBAGLBSA-N 1 2 378.389 -2.251 20 0 GAADLO COCCn1c[nH+]cc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142391604 1073885394 /nfs/dbraw/zinc/88/53/94/1073885394.db2.gz SAITXGMNXBZOPL-UHFFFAOYSA-N 1 2 375.389 -1.407 20 0 GAADLO CS(=O)(=O)CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001142535828 1074334438 /nfs/dbraw/zinc/33/44/38/1074334438.db2.gz BZCLJMLAVNJBDS-RYUDHWBXSA-N 1 2 385.446 -1.652 20 0 GAADLO CS(=O)(=O)CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001142535828 1074334435 /nfs/dbraw/zinc/33/44/35/1074334435.db2.gz BZCLJMLAVNJBDS-RYUDHWBXSA-N 1 2 385.446 -1.652 20 0 GAADLO C[NH+]1CC(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001142594267 1073888516 /nfs/dbraw/zinc/88/85/16/1073888516.db2.gz FDWHXOKOJNUSON-RBSFLKMASA-N 1 2 385.486 -1.332 20 0 GAADLO C[NH+]1CC(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001142594268 1073888661 /nfs/dbraw/zinc/88/86/61/1073888661.db2.gz FDWHXOKOJNUSON-RRFJBIMHSA-N 1 2 385.486 -1.332 20 0 GAADLO CN(C)C(=O)CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001143062177 1073893079 /nfs/dbraw/zinc/89/30/79/1073893079.db2.gz BNGMUIZYTXKLLD-STQMWFEESA-N 1 2 378.433 -1.218 20 0 GAADLO CN(C)C(=O)CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001143062177 1073893072 /nfs/dbraw/zinc/89/30/72/1073893072.db2.gz BNGMUIZYTXKLLD-STQMWFEESA-N 1 2 378.433 -1.218 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCCC1=O ZINC001143254670 1073895537 /nfs/dbraw/zinc/89/55/37/1073895537.db2.gz YREBLEVITJVSPJ-STQMWFEESA-N 1 2 376.417 -1.464 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCCC1=O ZINC001143254670 1073895527 /nfs/dbraw/zinc/89/55/27/1073895527.db2.gz YREBLEVITJVSPJ-STQMWFEESA-N 1 2 376.417 -1.464 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001143485005 1073813859 /nfs/dbraw/zinc/81/38/59/1073813859.db2.gz XRHQTJGZCZGUPO-AVGNSLFASA-N 1 2 397.457 -1.510 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001143485005 1073813845 /nfs/dbraw/zinc/81/38/45/1073813845.db2.gz XRHQTJGZCZGUPO-AVGNSLFASA-N 1 2 397.457 -1.510 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001143485006 1073813557 /nfs/dbraw/zinc/81/35/57/1073813557.db2.gz XRHQTJGZCZGUPO-RWMBFGLXSA-N 1 2 397.457 -1.510 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001143485006 1073813546 /nfs/dbraw/zinc/81/35/46/1073813546.db2.gz XRHQTJGZCZGUPO-RWMBFGLXSA-N 1 2 397.457 -1.510 20 0 GAADLO CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144085535 1075054923 /nfs/dbraw/zinc/05/49/23/1075054923.db2.gz ZBNKYHLSEXGSRP-UHFFFAOYSA-N 1 2 393.448 -1.407 20 0 GAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144326261 1075056419 /nfs/dbraw/zinc/05/64/19/1075056419.db2.gz SQLCWWSXMCTCDI-BWACUDIHSA-N 1 2 382.417 -1.161 20 0 GAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144326262 1075056497 /nfs/dbraw/zinc/05/64/97/1075056497.db2.gz SQLCWWSXMCTCDI-NVGCLXPQSA-N 1 2 382.417 -1.161 20 0 GAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144326263 1075056485 /nfs/dbraw/zinc/05/64/85/1075056485.db2.gz SQLCWWSXMCTCDI-PEBVRCNWSA-N 1 2 382.417 -1.161 20 0 GAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144326264 1075056492 /nfs/dbraw/zinc/05/64/92/1075056492.db2.gz SQLCWWSXMCTCDI-PRXAMGSTSA-N 1 2 382.417 -1.161 20 0 GAADLO O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001144333169 1075055829 /nfs/dbraw/zinc/05/58/29/1075055829.db2.gz PSLVZFHDHGOSCA-LBPRGKRZSA-N 1 2 385.384 -1.182 20 0 GAADLO CC(=O)NCCNC(=O)CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144408757 1075057356 /nfs/dbraw/zinc/05/73/56/1075057356.db2.gz KUSQFRUNBGDZCC-UHFFFAOYSA-N 1 2 390.506 -1.356 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429105 1075058276 /nfs/dbraw/zinc/05/82/76/1075058276.db2.gz MECVJCYHFONFLB-KBPBESRZSA-N 1 2 392.460 -1.052 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429105 1075058272 /nfs/dbraw/zinc/05/82/72/1075058272.db2.gz MECVJCYHFONFLB-KBPBESRZSA-N 1 2 392.460 -1.052 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429106 1075058215 /nfs/dbraw/zinc/05/82/15/1075058215.db2.gz MECVJCYHFONFLB-KGLIPLIRSA-N 1 2 392.460 -1.052 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429106 1075058212 /nfs/dbraw/zinc/05/82/12/1075058212.db2.gz MECVJCYHFONFLB-KGLIPLIRSA-N 1 2 392.460 -1.052 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429107 1075058244 /nfs/dbraw/zinc/05/82/44/1075058244.db2.gz MECVJCYHFONFLB-UONOGXRCSA-N 1 2 392.460 -1.052 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429107 1075058242 /nfs/dbraw/zinc/05/82/42/1075058242.db2.gz MECVJCYHFONFLB-UONOGXRCSA-N 1 2 392.460 -1.052 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429108 1075058289 /nfs/dbraw/zinc/05/82/89/1075058289.db2.gz MECVJCYHFONFLB-ZIAGYGMSSA-N 1 2 392.460 -1.052 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)CC2=O)cn1 ZINC001144429108 1075058284 /nfs/dbraw/zinc/05/82/84/1075058284.db2.gz MECVJCYHFONFLB-ZIAGYGMSSA-N 1 2 392.460 -1.052 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893260 1075074706 /nfs/dbraw/zinc/07/47/06/1075074706.db2.gz CYECZKTYXADHLB-GGUBGCTKSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893260 1075074700 /nfs/dbraw/zinc/07/47/00/1075074700.db2.gz CYECZKTYXADHLB-GGUBGCTKSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893261 1075074631 /nfs/dbraw/zinc/07/46/31/1075074631.db2.gz CYECZKTYXADHLB-MYYUVRNCSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893261 1075074627 /nfs/dbraw/zinc/07/46/27/1075074627.db2.gz CYECZKTYXADHLB-MYYUVRNCSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893262 1075074691 /nfs/dbraw/zinc/07/46/91/1075074691.db2.gz CYECZKTYXADHLB-RKEKIRQTSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893262 1075074687 /nfs/dbraw/zinc/07/46/87/1075074687.db2.gz CYECZKTYXADHLB-RKEKIRQTSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893263 1075074654 /nfs/dbraw/zinc/07/46/54/1075074654.db2.gz CYECZKTYXADHLB-URFZWBKFSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893263 1075074651 /nfs/dbraw/zinc/07/46/51/1075074651.db2.gz CYECZKTYXADHLB-URFZWBKFSA-N 1 2 399.469 -1.790 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894144 1075075450 /nfs/dbraw/zinc/07/54/50/1075075450.db2.gz FSSZZKYQLHJRRX-CQJMVSDSSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894144 1075075448 /nfs/dbraw/zinc/07/54/48/1075075448.db2.gz FSSZZKYQLHJRRX-CQJMVSDSSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894149 1075075436 /nfs/dbraw/zinc/07/54/36/1075075436.db2.gz FSSZZKYQLHJRRX-UYJHQMFVSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894149 1075075433 /nfs/dbraw/zinc/07/54/33/1075075433.db2.gz FSSZZKYQLHJRRX-UYJHQMFVSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894151 1075075442 /nfs/dbraw/zinc/07/54/42/1075075442.db2.gz FSSZZKYQLHJRRX-XFIYOXNOSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894151 1075075440 /nfs/dbraw/zinc/07/54/40/1075075440.db2.gz FSSZZKYQLHJRRX-XFIYOXNOSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894155 1075075462 /nfs/dbraw/zinc/07/54/62/1075075462.db2.gz FSSZZKYQLHJRRX-ZVDSWSACSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894155 1075075460 /nfs/dbraw/zinc/07/54/60/1075075460.db2.gz FSSZZKYQLHJRRX-ZVDSWSACSA-N 1 2 379.413 -2.099 20 0 GAADLO O=C(C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144894398 1075075596 /nfs/dbraw/zinc/07/55/96/1075075596.db2.gz GJTUTCRDWJFXBG-FPMFFAJLSA-N 1 2 380.357 -2.552 20 0 GAADLO O=C(C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144894402 1075075603 /nfs/dbraw/zinc/07/56/03/1075075603.db2.gz GJTUTCRDWJFXBG-IACUBPJLSA-N 1 2 380.357 -2.552 20 0 GAADLO O=C(C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144894404 1075075633 /nfs/dbraw/zinc/07/56/33/1075075633.db2.gz GJTUTCRDWJFXBG-KWCYVHTRSA-N 1 2 380.357 -2.552 20 0 GAADLO O=C(C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144894406 1075075580 /nfs/dbraw/zinc/07/55/80/1075075580.db2.gz GJTUTCRDWJFXBG-MRVWCRGKSA-N 1 2 380.357 -2.552 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001144896088 1075063412 /nfs/dbraw/zinc/06/34/12/1075063412.db2.gz YOBXTYJLIJYBIW-IMPMIVQMSA-N 1 2 380.441 -1.248 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001144896088 1075063408 /nfs/dbraw/zinc/06/34/08/1075063408.db2.gz YOBXTYJLIJYBIW-IMPMIVQMSA-N 1 2 380.441 -1.248 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001144896089 1075063423 /nfs/dbraw/zinc/06/34/23/1075063423.db2.gz YOBXTYJLIJYBIW-NOYHWAJDSA-N 1 2 380.441 -1.248 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001144896089 1075063421 /nfs/dbraw/zinc/06/34/21/1075063421.db2.gz YOBXTYJLIJYBIW-NOYHWAJDSA-N 1 2 380.441 -1.248 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001144896090 1075063518 /nfs/dbraw/zinc/06/35/18/1075063518.db2.gz YOBXTYJLIJYBIW-PEHHYFEISA-N 1 2 380.441 -1.248 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001144896090 1075063515 /nfs/dbraw/zinc/06/35/15/1075063515.db2.gz YOBXTYJLIJYBIW-PEHHYFEISA-N 1 2 380.441 -1.248 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001144896091 1075063434 /nfs/dbraw/zinc/06/34/34/1075063434.db2.gz YOBXTYJLIJYBIW-PNDGYWDASA-N 1 2 380.441 -1.248 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001144896091 1075063430 /nfs/dbraw/zinc/06/34/30/1075063430.db2.gz YOBXTYJLIJYBIW-PNDGYWDASA-N 1 2 380.441 -1.248 20 0 GAADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897156 1075064562 /nfs/dbraw/zinc/06/45/62/1075064562.db2.gz WZERWWDNVPFSKW-DDTOSNHZSA-N 1 2 394.384 -1.579 20 0 GAADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897157 1075064501 /nfs/dbraw/zinc/06/45/01/1075064501.db2.gz WZERWWDNVPFSKW-LERXQTSPSA-N 1 2 394.384 -1.579 20 0 GAADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897158 1075064479 /nfs/dbraw/zinc/06/44/79/1075064479.db2.gz WZERWWDNVPFSKW-LEWSCRJBSA-N 1 2 394.384 -1.579 20 0 GAADLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897159 1075064484 /nfs/dbraw/zinc/06/44/84/1075064484.db2.gz WZERWWDNVPFSKW-ZLKJLUDKSA-N 1 2 394.384 -1.579 20 0 GAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897216 1075064538 /nfs/dbraw/zinc/06/45/38/1075064538.db2.gz XOAYJJOUGJIIKQ-DMRZNYOFSA-N 1 2 397.428 -2.088 20 0 GAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897217 1075064532 /nfs/dbraw/zinc/06/45/32/1075064532.db2.gz XOAYJJOUGJIIKQ-DTZQCDIJSA-N 1 2 397.428 -2.088 20 0 GAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897218 1075064519 /nfs/dbraw/zinc/06/45/19/1075064519.db2.gz XOAYJJOUGJIIKQ-SLBVQIDZSA-N 1 2 397.428 -2.088 20 0 GAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897219 1075064543 /nfs/dbraw/zinc/06/45/43/1075064543.db2.gz XOAYJJOUGJIIKQ-SYAUCNOPSA-N 1 2 397.428 -2.088 20 0 GAADLO COc1ccccc1C[N@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144901644 1075069584 /nfs/dbraw/zinc/06/95/84/1075069584.db2.gz AWHALAVYUKYYHG-DARAHFNDSA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144901644 1075069581 /nfs/dbraw/zinc/06/95/81/1075069581.db2.gz AWHALAVYUKYYHG-DARAHFNDSA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1C[N@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144901649 1075069523 /nfs/dbraw/zinc/06/95/23/1075069523.db2.gz AWHALAVYUKYYHG-LQKXBSAESA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144901649 1075069520 /nfs/dbraw/zinc/06/95/20/1075069520.db2.gz AWHALAVYUKYYHG-LQKXBSAESA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1C[N@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144901651 1075069499 /nfs/dbraw/zinc/06/94/99/1075069499.db2.gz AWHALAVYUKYYHG-SJXGUFTOSA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144901651 1075069497 /nfs/dbraw/zinc/06/94/97/1075069497.db2.gz AWHALAVYUKYYHG-SJXGUFTOSA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1C[N@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144901652 1075069557 /nfs/dbraw/zinc/06/95/57/1075069557.db2.gz AWHALAVYUKYYHG-WMHQRMGPSA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144901652 1075069554 /nfs/dbraw/zinc/06/95/54/1075069554.db2.gz AWHALAVYUKYYHG-WMHQRMGPSA-N 1 2 382.413 -1.970 20 0 GAADLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902054 1075069818 /nfs/dbraw/zinc/06/98/18/1075069818.db2.gz CWTWUHOTVOMARG-CWRNSKLLSA-N 1 2 393.396 -1.800 20 0 GAADLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144902055 1075069785 /nfs/dbraw/zinc/06/97/85/1075069785.db2.gz CWTWUHOTVOMARG-FVQBIDKESA-N 1 2 393.396 -1.800 20 0 GAADLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144902056 1075069833 /nfs/dbraw/zinc/06/98/33/1075069833.db2.gz CWTWUHOTVOMARG-NUEKZKHPSA-N 1 2 393.396 -1.800 20 0 GAADLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144902057 1075069810 /nfs/dbraw/zinc/06/98/10/1075069810.db2.gz CWTWUHOTVOMARG-VNQPRFMTSA-N 1 2 393.396 -1.800 20 0 GAADLO C[NH+]1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144902374 1075069853 /nfs/dbraw/zinc/06/98/53/1075069853.db2.gz HGGRSVKVINRPEL-QLFBSQMISA-N 1 2 385.392 -1.840 20 0 GAADLO C[NH+]1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144902377 1075069798 /nfs/dbraw/zinc/06/97/98/1075069798.db2.gz HGGRSVKVINRPEL-RBSFLKMASA-N 1 2 385.392 -1.840 20 0 GAADLO C[NH+]1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144902379 1075069879 /nfs/dbraw/zinc/06/98/79/1075069879.db2.gz HGGRSVKVINRPEL-RRFJBIMHSA-N 1 2 385.392 -1.840 20 0 GAADLO C[NH+]1CCN(c2ccc(F)cc2NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144902381 1075069872 /nfs/dbraw/zinc/06/98/72/1075069872.db2.gz HGGRSVKVINRPEL-SOUVJXGZSA-N 1 2 385.392 -1.840 20 0 GAADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146267525 1075080996 /nfs/dbraw/zinc/08/09/96/1075080996.db2.gz XWRITBPXMKJIPT-RTXFEEFZSA-N 1 2 398.441 -1.246 20 0 GAADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146267526 1075081133 /nfs/dbraw/zinc/08/11/33/1075081133.db2.gz XWRITBPXMKJIPT-UHTWSYAYSA-N 1 2 398.441 -1.246 20 0 GAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146618754 1075081581 /nfs/dbraw/zinc/08/15/81/1075081581.db2.gz MUXNYFXLPYBKIN-DINLJIAVSA-N 1 2 398.456 -1.346 20 0 GAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146618755 1075081564 /nfs/dbraw/zinc/08/15/64/1075081564.db2.gz MUXNYFXLPYBKIN-HLTONANMSA-N 1 2 398.456 -1.346 20 0 GAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146618756 1075081557 /nfs/dbraw/zinc/08/15/57/1075081557.db2.gz MUXNYFXLPYBKIN-MEXWJNSZSA-N 1 2 398.456 -1.346 20 0 GAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146618757 1075081571 /nfs/dbraw/zinc/08/15/71/1075081571.db2.gz MUXNYFXLPYBKIN-YAFCLFEMSA-N 1 2 398.456 -1.346 20 0 GAADLO COc1nn(C)cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001147029502 1075082757 /nfs/dbraw/zinc/08/27/57/1075082757.db2.gz TWCCXEAJYJICNA-STQMWFEESA-N 1 2 389.416 -1.031 20 0 GAADLO COc1nn(C)cc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001147029502 1075082753 /nfs/dbraw/zinc/08/27/53/1075082753.db2.gz TWCCXEAJYJICNA-STQMWFEESA-N 1 2 389.416 -1.031 20 0 GAADLO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001147353285 1075083077 /nfs/dbraw/zinc/08/30/77/1075083077.db2.gz VNVGRAZHCFKGMQ-CWCFIDOXSA-N 1 2 378.477 -1.339 20 0 GAADLO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001147353285 1075083075 /nfs/dbraw/zinc/08/30/75/1075083075.db2.gz VNVGRAZHCFKGMQ-CWCFIDOXSA-N 1 2 378.477 -1.339 20 0 GAADLO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001147353286 1075083111 /nfs/dbraw/zinc/08/31/11/1075083111.db2.gz VNVGRAZHCFKGMQ-DPZJBDQQSA-N 1 2 378.477 -1.339 20 0 GAADLO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147353286 1075083108 /nfs/dbraw/zinc/08/31/08/1075083108.db2.gz VNVGRAZHCFKGMQ-DPZJBDQQSA-N 1 2 378.477 -1.339 20 0 GAADLO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001147353287 1075082995 /nfs/dbraw/zinc/08/29/95/1075082995.db2.gz VNVGRAZHCFKGMQ-JPIRQXTESA-N 1 2 378.477 -1.339 20 0 GAADLO C[C@@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001147353287 1075082992 /nfs/dbraw/zinc/08/29/92/1075082992.db2.gz VNVGRAZHCFKGMQ-JPIRQXTESA-N 1 2 378.477 -1.339 20 0 GAADLO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001147353288 1075083026 /nfs/dbraw/zinc/08/30/26/1075083026.db2.gz VNVGRAZHCFKGMQ-RBRCJPGISA-N 1 2 378.477 -1.339 20 0 GAADLO C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147353288 1075083023 /nfs/dbraw/zinc/08/30/23/1075083023.db2.gz VNVGRAZHCFKGMQ-RBRCJPGISA-N 1 2 378.477 -1.339 20 0 GAADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001147751775 1075084558 /nfs/dbraw/zinc/08/45/58/1075084558.db2.gz BVVNOQPFFIJMIM-GOSISDBHSA-N 1 2 390.444 -1.124 20 0 GAADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001147751775 1075084554 /nfs/dbraw/zinc/08/45/54/1075084554.db2.gz BVVNOQPFFIJMIM-GOSISDBHSA-N 1 2 390.444 -1.124 20 0 GAADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001147751778 1075084478 /nfs/dbraw/zinc/08/44/78/1075084478.db2.gz BVVNOQPFFIJMIM-SFHVURJKSA-N 1 2 390.444 -1.124 20 0 GAADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3nccnc3C(N)=O)C2)C1 ZINC001147751778 1075084474 /nfs/dbraw/zinc/08/44/74/1075084474.db2.gz BVVNOQPFFIJMIM-SFHVURJKSA-N 1 2 390.444 -1.124 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC2(C1)CS(=O)(=O)C2 ZINC001147764243 1075084224 /nfs/dbraw/zinc/08/42/24/1075084224.db2.gz LFGFIXCVUYGLKD-AWEZNQCLSA-N 1 2 385.486 -1.140 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC2(C1)CS(=O)(=O)C2 ZINC001147764244 1075084216 /nfs/dbraw/zinc/08/42/16/1075084216.db2.gz LFGFIXCVUYGLKD-CQSZACIVSA-N 1 2 385.486 -1.140 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001147764790 1075084284 /nfs/dbraw/zinc/08/42/84/1075084284.db2.gz PILHDCMVFBICMM-BPLDGKMQSA-N 1 2 378.433 -1.363 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001147764793 1075084257 /nfs/dbraw/zinc/08/42/57/1075084257.db2.gz PILHDCMVFBICMM-NWANDNLSSA-N 1 2 378.433 -1.363 20 0 GAADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147765385 1075084248 /nfs/dbraw/zinc/08/42/48/1075084248.db2.gz TZJQROVCBPPQCU-GFCCVEGCSA-N 1 2 379.417 -1.212 20 0 GAADLO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147765392 1075084243 /nfs/dbraw/zinc/08/42/43/1075084243.db2.gz TZJQROVCBPPQCU-LBPRGKRZSA-N 1 2 379.417 -1.212 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC001147765849 1075084278 /nfs/dbraw/zinc/08/42/78/1075084278.db2.gz XDDYXEGMTCJSAA-KFWWJZLASA-N 1 2 382.461 -1.151 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC001147765856 1075084236 /nfs/dbraw/zinc/08/42/36/1075084236.db2.gz XDDYXEGMTCJSAA-ZNMIVQPWSA-N 1 2 382.461 -1.151 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=CN2NC=CC=C2N1 ZINC001149448367 1073898189 /nfs/dbraw/zinc/89/81/89/1073898189.db2.gz LBLMCTQJOFNLOX-JSGCOSHPSA-N 1 2 398.427 -1.467 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=CN2NC=CC=C2N1 ZINC001149448367 1073898179 /nfs/dbraw/zinc/89/81/79/1073898179.db2.gz LBLMCTQJOFNLOX-JSGCOSHPSA-N 1 2 398.427 -1.467 20 0 GAADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001149725243 1073898892 /nfs/dbraw/zinc/89/88/92/1073898892.db2.gz KJDLPJJAGYOCOM-CYBMUJFWSA-N 1 2 387.462 -1.742 20 0 GAADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001149725244 1073898805 /nfs/dbraw/zinc/89/88/05/1073898805.db2.gz KJDLPJJAGYOCOM-ZDUSSCGKSA-N 1 2 387.462 -1.742 20 0 GAADLO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367039 1073902037 /nfs/dbraw/zinc/90/20/37/1073902037.db2.gz MRGRJQARWCIUEF-JYJNAYRXSA-N 1 2 395.481 -1.101 20 0 GAADLO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367039 1073902033 /nfs/dbraw/zinc/90/20/33/1073902033.db2.gz MRGRJQARWCIUEF-JYJNAYRXSA-N 1 2 395.481 -1.101 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367042 1073901978 /nfs/dbraw/zinc/90/19/78/1073901978.db2.gz MRGRJQARWCIUEF-OAGGEKHMSA-N 1 2 395.481 -1.101 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367042 1073901975 /nfs/dbraw/zinc/90/19/75/1073901975.db2.gz MRGRJQARWCIUEF-OAGGEKHMSA-N 1 2 395.481 -1.101 20 0 GAADLO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367043 1073902066 /nfs/dbraw/zinc/90/20/66/1073902066.db2.gz MRGRJQARWCIUEF-PMPSAXMXSA-N 1 2 395.481 -1.101 20 0 GAADLO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367043 1073902062 /nfs/dbraw/zinc/90/20/62/1073902062.db2.gz MRGRJQARWCIUEF-PMPSAXMXSA-N 1 2 395.481 -1.101 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367044 1073902021 /nfs/dbraw/zinc/90/20/21/1073902021.db2.gz MRGRJQARWCIUEF-XHSDSOJGSA-N 1 2 395.481 -1.101 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001150367044 1073902018 /nfs/dbraw/zinc/90/20/18/1073902018.db2.gz MRGRJQARWCIUEF-XHSDSOJGSA-N 1 2 395.481 -1.101 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1CO ZINC001151358341 1073904533 /nfs/dbraw/zinc/90/45/33/1073904533.db2.gz FIEDUGNCLOUXPQ-GXTWGEPZSA-N 1 2 396.469 -1.178 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1CO ZINC001151358341 1073904526 /nfs/dbraw/zinc/90/45/26/1073904526.db2.gz FIEDUGNCLOUXPQ-GXTWGEPZSA-N 1 2 396.469 -1.178 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1CO ZINC001151358345 1073904404 /nfs/dbraw/zinc/90/44/04/1073904404.db2.gz FIEDUGNCLOUXPQ-JSGCOSHPSA-N 1 2 396.469 -1.178 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1CO ZINC001151358345 1073904398 /nfs/dbraw/zinc/90/43/98/1073904398.db2.gz FIEDUGNCLOUXPQ-JSGCOSHPSA-N 1 2 396.469 -1.178 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1CO ZINC001151358348 1073904433 /nfs/dbraw/zinc/90/44/33/1073904433.db2.gz FIEDUGNCLOUXPQ-OCCSQVGLSA-N 1 2 396.469 -1.178 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1CO ZINC001151358348 1073904427 /nfs/dbraw/zinc/90/44/27/1073904427.db2.gz FIEDUGNCLOUXPQ-OCCSQVGLSA-N 1 2 396.469 -1.178 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1CO ZINC001151358352 1073904577 /nfs/dbraw/zinc/90/45/77/1073904577.db2.gz FIEDUGNCLOUXPQ-TZMCWYRMSA-N 1 2 396.469 -1.178 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1CO ZINC001151358352 1073904571 /nfs/dbraw/zinc/90/45/71/1073904571.db2.gz FIEDUGNCLOUXPQ-TZMCWYRMSA-N 1 2 396.469 -1.178 20 0 GAADLO O=C(N[C@H](CO)[C@@H](O)c1ccccn1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151393945 1073905002 /nfs/dbraw/zinc/90/50/02/1073905002.db2.gz CULBEYHJXZIBNH-KYJSFNMBSA-N 1 2 392.456 -1.227 20 0 GAADLO O=C(N[C@H](CO)[C@@H](O)c1ccccn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151393946 1073904982 /nfs/dbraw/zinc/90/49/82/1073904982.db2.gz CULBEYHJXZIBNH-LESCRADOSA-N 1 2 392.456 -1.227 20 0 GAADLO O=C(N[C@H](CO)[C@H](O)c1ccccn1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151393947 1073905200 /nfs/dbraw/zinc/90/52/00/1073905200.db2.gz CULBEYHJXZIBNH-QGPMSJSTSA-N 1 2 392.456 -1.227 20 0 GAADLO O=C(N[C@H](CO)[C@H](O)c1ccccn1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001151393948 1073905042 /nfs/dbraw/zinc/90/50/42/1073905042.db2.gz CULBEYHJXZIBNH-YXJHDRRASA-N 1 2 392.456 -1.227 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nnc2cnccn21 ZINC001152034674 1073907155 /nfs/dbraw/zinc/90/71/55/1073907155.db2.gz KNCOSKZAWACBKX-RYUDHWBXSA-N 1 2 397.399 -1.335 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nnc2cnccn21 ZINC001152034674 1073907150 /nfs/dbraw/zinc/90/71/50/1073907150.db2.gz KNCOSKZAWACBKX-RYUDHWBXSA-N 1 2 397.399 -1.335 20 0 GAADLO CCn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001152730491 1073908267 /nfs/dbraw/zinc/90/82/67/1073908267.db2.gz MLYAMGCGVJRJEN-BHYGNILZSA-N 1 2 386.412 -1.117 20 0 GAADLO CCn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001152730492 1073908256 /nfs/dbraw/zinc/90/82/56/1073908256.db2.gz MLYAMGCGVJRJEN-HYVNUMGLSA-N 1 2 386.412 -1.117 20 0 GAADLO CCn1cc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001152730493 1073908321 /nfs/dbraw/zinc/90/83/21/1073908321.db2.gz MLYAMGCGVJRJEN-PVAVHDDUSA-N 1 2 386.412 -1.117 20 0 GAADLO CCn1cc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001152730494 1073908354 /nfs/dbraw/zinc/90/83/54/1073908354.db2.gz MLYAMGCGVJRJEN-XIRDDKMYSA-N 1 2 386.412 -1.117 20 0 GAADLO Cn1nnc2c(C(=O)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)ncn2c1=O ZINC001152744592 1073908197 /nfs/dbraw/zinc/90/81/97/1073908197.db2.gz BZEKLHFFVOJWAY-UHFFFAOYSA-N 1 2 395.387 -1.295 20 0 GAADLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001153327918 1073911531 /nfs/dbraw/zinc/91/15/31/1073911531.db2.gz ZZNOWWQSUQHNNQ-KBPBESRZSA-N 1 2 388.490 -2.188 20 0 GAADLO O=C(N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001153327921 1073911520 /nfs/dbraw/zinc/91/15/20/1073911520.db2.gz ZZNOWWQSUQHNNQ-KGLIPLIRSA-N 1 2 388.490 -2.188 20 0 GAADLO CCn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001153671889 1073912037 /nfs/dbraw/zinc/91/20/37/1073912037.db2.gz UBMRFZRKOPJXEQ-BPUTZDHNSA-N 1 2 387.400 -1.722 20 0 GAADLO CCn1nc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001153671890 1073912168 /nfs/dbraw/zinc/91/21/68/1073912168.db2.gz UBMRFZRKOPJXEQ-CWRNSKLLSA-N 1 2 387.400 -1.722 20 0 GAADLO CCn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001153671891 1073912281 /nfs/dbraw/zinc/91/22/81/1073912281.db2.gz UBMRFZRKOPJXEQ-KBMXLJTQSA-N 1 2 387.400 -1.722 20 0 GAADLO CCn1nc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(=O)c2cc3c(cc21)OCO3 ZINC001153671892 1073912262 /nfs/dbraw/zinc/91/22/62/1073912262.db2.gz UBMRFZRKOPJXEQ-VNQPRFMTSA-N 1 2 387.400 -1.722 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2n(n1)CCO2 ZINC001153888889 1073912915 /nfs/dbraw/zinc/91/29/15/1073912915.db2.gz KUVHQIZVDIGHPF-STQMWFEESA-N 1 2 387.400 -1.184 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2n(n1)CCO2 ZINC001153888889 1073912906 /nfs/dbraw/zinc/91/29/06/1073912906.db2.gz KUVHQIZVDIGHPF-STQMWFEESA-N 1 2 387.400 -1.184 20 0 GAADLO C[C@@H]1O[C@@H](OCCNC(=O)c2nc3c(s2)C[N@@H+](C)CC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001154226230 1073914785 /nfs/dbraw/zinc/91/47/85/1073914785.db2.gz ISNFRKLELNRLNK-LRMZEGNFSA-N 1 2 387.458 -1.295 20 0 GAADLO C[C@@H]1O[C@@H](OCCNC(=O)c2nc3c(s2)C[N@H+](C)CC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001154226230 1073914779 /nfs/dbraw/zinc/91/47/79/1073914779.db2.gz ISNFRKLELNRLNK-LRMZEGNFSA-N 1 2 387.458 -1.295 20 0 GAADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cccc3[nH+]ccn32)c(=O)n1 ZINC001154525832 1073915277 /nfs/dbraw/zinc/91/52/77/1073915277.db2.gz ZUUBVUHIIQHNTK-DSPGLSBSSA-N 1 2 386.368 -1.235 20 0 GAADLO Cc1nc2c(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)c[nH]n2n1 ZINC001154672942 1073915391 /nfs/dbraw/zinc/91/53/91/1073915391.db2.gz XPYANUIVKIFPIA-STQMWFEESA-N 1 2 399.415 -1.094 20 0 GAADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001154925194 1073916694 /nfs/dbraw/zinc/91/66/94/1073916694.db2.gz SJHHJUGAUKXGIX-HNNXBMFYSA-N 1 2 381.477 -1.264 20 0 GAADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001154925194 1073916688 /nfs/dbraw/zinc/91/66/88/1073916688.db2.gz SJHHJUGAUKXGIX-HNNXBMFYSA-N 1 2 381.477 -1.264 20 0 GAADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001154925195 1073916410 /nfs/dbraw/zinc/91/64/10/1073916410.db2.gz SJHHJUGAUKXGIX-OAHLLOKOSA-N 1 2 381.477 -1.264 20 0 GAADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001154925195 1073916403 /nfs/dbraw/zinc/91/64/03/1073916403.db2.gz SJHHJUGAUKXGIX-OAHLLOKOSA-N 1 2 381.477 -1.264 20 0 GAADLO O=C1C[C@H](CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CCN1 ZINC001154936522 1073916461 /nfs/dbraw/zinc/91/64/61/1073916461.db2.gz VQHVXCCZKWQRGC-CYBMUJFWSA-N 1 2 377.449 -1.095 20 0 GAADLO O=C1C[C@H](CNc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CCN1 ZINC001154936522 1073916453 /nfs/dbraw/zinc/91/64/53/1073916453.db2.gz VQHVXCCZKWQRGC-CYBMUJFWSA-N 1 2 377.449 -1.095 20 0 GAADLO O=C1C[C@@H](CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CCN1 ZINC001154936523 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399.477 -1.978 20 0 GAADLO CS(=O)(=O)N1CC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)C1 ZINC001157438284 1073925888 /nfs/dbraw/zinc/92/58/88/1073925888.db2.gz JHHLWCMSVQNQJK-UHFFFAOYSA-N 1 2 399.477 -1.978 20 0 GAADLO CCOC(=O)c1cn[nH]c1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157449057 1073925816 /nfs/dbraw/zinc/92/58/16/1073925816.db2.gz QMHZELKJZPJZFT-GWCFXTLKSA-N 1 2 394.432 -1.343 20 0 GAADLO CS(=O)(=O)[C@H]1C[C@@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001157463229 1073925740 /nfs/dbraw/zinc/92/57/40/1073925740.db2.gz NTJABNHWFKCCFN-BETUJISGSA-N 1 2 398.489 -1.046 20 0 GAADLO CS(=O)(=O)[C@H]1C[C@@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)C1 ZINC001157463229 1073925731 /nfs/dbraw/zinc/92/57/31/1073925731.db2.gz NTJABNHWFKCCFN-BETUJISGSA-N 1 2 398.489 -1.046 20 0 GAADLO CN1C[C@@H](CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1=O ZINC001157901797 1073928677 /nfs/dbraw/zinc/92/86/77/1073928677.db2.gz FUKFQGXMGLKOLY-CYBMUJFWSA-N 1 2 377.449 -1.143 20 0 GAADLO 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GAADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[C@H]([NH3+])C(=O)OC ZINC001159225462 1073948803 /nfs/dbraw/zinc/94/88/03/1073948803.db2.gz RPNJDSQWTKXWGJ-RYUDHWBXSA-N 1 2 377.405 -1.074 20 0 GAADLO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H]2CCCO[C@@H]21 ZINC001159266010 1073949352 /nfs/dbraw/zinc/94/93/52/1073949352.db2.gz ANXTZUMMNYFMKS-UUIJZJDISA-N 1 2 388.432 -1.404 20 0 GAADLO CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C2)O1 ZINC001159449079 1073950570 /nfs/dbraw/zinc/95/05/70/1073950570.db2.gz AJEAIJNGNYTRFQ-BFQNTYOBSA-N 1 2 380.453 -1.119 20 0 GAADLO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001159463791 1073951551 /nfs/dbraw/zinc/95/15/51/1073951551.db2.gz WFERTYYFXHTMSC-SJCJKPOMSA-N 1 2 387.448 -1.066 20 0 GAADLO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001159463803 1073951362 /nfs/dbraw/zinc/95/13/62/1073951362.db2.gz WFERTYYFXHTMSC-YVEFUNNKSA-N 1 2 387.448 -1.066 20 0 GAADLO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491304 1073951588 /nfs/dbraw/zinc/95/15/88/1073951588.db2.gz BXIAGPFZRPDICA-ONGXEEELSA-N 1 2 380.405 -2.451 20 0 GAADLO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C2)C1=O ZINC001159491598 1073951253 /nfs/dbraw/zinc/95/12/53/1073951253.db2.gz FDGXJKBPPJZSJX-MEDUHNTESA-N 1 2 378.437 -2.001 20 0 GAADLO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C2)C1=O ZINC001159491600 1073951449 /nfs/dbraw/zinc/95/14/49/1073951449.db2.gz FDGXJKBPPJZSJX-ZBEGNZNMSA-N 1 2 378.437 -2.001 20 0 GAADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001159530054 1073953138 /nfs/dbraw/zinc/95/31/38/1073953138.db2.gz OSXGRUNIRNPHNE-KBPBESRZSA-N 1 2 392.460 -1.124 20 0 GAADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001159530055 1073953312 /nfs/dbraw/zinc/95/33/12/1073953312.db2.gz OSXGRUNIRNPHNE-KGLIPLIRSA-N 1 2 392.460 -1.124 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159611321 1073955212 /nfs/dbraw/zinc/95/52/12/1073955212.db2.gz YNIZJWOEWRGEGX-ZRGWGRIASA-N 1 2 399.455 -1.097 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654429 1073956849 /nfs/dbraw/zinc/95/68/49/1073956849.db2.gz MLIIPHXECUSDBS-LBPRGKRZSA-N 1 2 387.404 -1.716 20 0 GAADLO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001159663264 1073956955 /nfs/dbraw/zinc/95/69/55/1073956955.db2.gz HABMXCHWEQZAKH-LBPRGKRZSA-N 1 2 398.431 -1.423 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159737757 1073957533 /nfs/dbraw/zinc/95/75/33/1073957533.db2.gz MLDCLKPIVVLZEG-GLJUWKHASA-N 1 2 383.445 -1.009 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159738119 1073957569 /nfs/dbraw/zinc/95/75/69/1073957569.db2.gz PXYPFOXOTDGNNM-IGCXYCKISA-N 1 2 393.448 -1.817 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159746362 1073957620 /nfs/dbraw/zinc/95/76/20/1073957620.db2.gz MYDXVYJCSLSMJW-YNEHKIRRSA-N 1 2 375.364 -1.149 20 0 GAADLO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]([NH3+])Cc4nnn[n-]4)C3)O2)CC1 ZINC001159756816 1073957486 /nfs/dbraw/zinc/95/74/86/1073957486.db2.gz FTVTWLQOHBXIGK-RVKKMQEKSA-N 1 2 392.508 -1.143 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159766005 1073957925 /nfs/dbraw/zinc/95/79/25/1073957925.db2.gz SJADOIPFENZFGY-MQYQWHSLSA-N 1 2 377.449 -1.293 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767796 1073958049 /nfs/dbraw/zinc/95/80/49/1073958049.db2.gz MIJOGRVPXOLJLB-MQYQWHSLSA-N 1 2 393.448 -1.961 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768116 1073958190 /nfs/dbraw/zinc/95/81/90/1073958190.db2.gz PCEVDSFQZRCWTF-KBXIAJHMSA-N 1 2 383.445 -1.153 20 0 GAADLO COC(=O)CNC(=O)CNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001159823381 1073958727 /nfs/dbraw/zinc/95/87/27/1073958727.db2.gz HCSJZADSOBAEDS-UHFFFAOYSA-N 1 2 395.420 -2.332 20 0 GAADLO COC(=O)CNC(=O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001159823381 1073958721 /nfs/dbraw/zinc/95/87/21/1073958721.db2.gz HCSJZADSOBAEDS-UHFFFAOYSA-N 1 2 395.420 -2.332 20 0 GAADLO Cn1ccc(CN2CCOCC23CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC3)n1 ZINC001159962195 1073959908 /nfs/dbraw/zinc/95/99/08/1073959908.db2.gz OOTVMTARNSLJGQ-AWEZNQCLSA-N 1 2 389.464 -1.303 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159980042 1073959876 /nfs/dbraw/zinc/95/98/76/1073959876.db2.gz IEHAUYHTXBJWRA-IGCXYCKISA-N 1 2 393.448 -1.532 20 0 GAADLO Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]21 ZINC001159987602 1073959953 /nfs/dbraw/zinc/95/99/53/1073959953.db2.gz NOYRGKLMCMOCOV-MJBXVCDLSA-N 1 2 376.421 -1.214 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160017063 1073960495 /nfs/dbraw/zinc/96/04/95/1073960495.db2.gz PMIGEXIMUBXEDX-PZEZNAACSA-N 1 2 392.445 -1.286 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160078270 1073961156 /nfs/dbraw/zinc/96/11/56/1073961156.db2.gz OSRGNRRKFXOJNB-ZQDZILKHSA-N 1 2 393.444 -1.096 20 0 GAADLO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4[nH]cnc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086957 1073962218 /nfs/dbraw/zinc/96/22/18/1073962218.db2.gz NYHYEZBFWJBDIK-MUIQIWNUSA-N 1 2 394.779 -1.281 20 0 GAADLO N[C@H]1[C@H](n2ccc(Nc3[nH+][nH]c(Cl)c4ncnc3-4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087899 1073963218 /nfs/dbraw/zinc/96/32/18/1073963218.db2.gz HEHGXRALNZVXSX-HBWWRNIDSA-N 1 2 394.779 -1.281 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160104346 1073965715 /nfs/dbraw/zinc/96/57/15/1073965715.db2.gz PNPYPHSSVVTXPI-OLZOCXBDSA-N 1 2 393.448 -1.674 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160104347 1073965581 /nfs/dbraw/zinc/96/55/81/1073965581.db2.gz PNPYPHSSVVTXPI-STQMWFEESA-N 1 2 393.448 -1.674 20 0 GAADLO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC[C@@H]21 ZINC001160173996 1073965815 /nfs/dbraw/zinc/96/58/15/1073965815.db2.gz OFJHBSCFEAXXBU-QPSCCSFWSA-N 1 2 387.448 -1.196 20 0 GAADLO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H]2CCCO[C@@H]21 ZINC001160211836 1073966403 /nfs/dbraw/zinc/96/64/03/1073966403.db2.gz KEFSABSHSSDNFG-MEWQQHAOSA-N 1 2 389.420 -2.009 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001160212597 1073966312 /nfs/dbraw/zinc/96/63/12/1073966312.db2.gz OSLKPSFGBRSZMA-CIQGVGRVSA-N 1 2 379.417 -1.201 20 0 GAADLO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001160266814 1073967689 /nfs/dbraw/zinc/96/76/89/1073967689.db2.gz NKRXXMGRIYAOIL-LBPRGKRZSA-N 1 2 388.432 -2.053 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001160267270 1073967565 /nfs/dbraw/zinc/96/75/65/1073967565.db2.gz PTGOGCBCQCRBQC-ZDUSSCGKSA-N 1 2 378.429 -1.246 20 0 GAADLO COCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H]1Cc1cnn(C)c1 ZINC001160327014 1073967610 /nfs/dbraw/zinc/96/76/10/1073967610.db2.gz WLMLULHXMCRWQY-IHRRRGAJSA-N 1 2 378.437 -1.322 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344894 1073968645 /nfs/dbraw/zinc/96/86/45/1073968645.db2.gz UDPWTKFISLYRQJ-GUYCJALGSA-N 1 2 379.417 -1.199 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344895 1073968594 /nfs/dbraw/zinc/96/85/94/1073968594.db2.gz UDPWTKFISLYRQJ-SUMWQHHRSA-N 1 2 379.417 -1.199 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001160380674 1073969925 /nfs/dbraw/zinc/96/99/25/1073969925.db2.gz IBCQFRUMVKILNP-XDQVBPFNSA-N 1 2 393.448 -1.123 20 0 GAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001160401222 1073971282 /nfs/dbraw/zinc/97/12/82/1073971282.db2.gz MDYOQCBYXVJOLC-RMRHIDDWSA-N 1 2 379.417 -1.201 20 0 GAADLO Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401583 1073971085 /nfs/dbraw/zinc/97/10/85/1073971085.db2.gz UCGGQLDKSMVRFC-CIQGVGRVSA-N 1 2 389.420 -2.009 20 0 GAADLO CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC1)C(=O)N2 ZINC001160407679 1073971847 /nfs/dbraw/zinc/97/18/47/1073971847.db2.gz AXJFWWWCQSFHCH-LBPRGKRZSA-N 1 2 398.427 -1.058 20 0 GAADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC2)cc1 ZINC001160437524 1073972382 /nfs/dbraw/zinc/97/23/82/1073972382.db2.gz ZDLZUDLWEUFAMP-ZDUSSCGKSA-N 1 2 379.446 -1.089 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160467133 1073973108 /nfs/dbraw/zinc/97/31/08/1073973108.db2.gz RBXVCBKPPDYHON-FZMZJTMJSA-N 1 2 387.400 -1.420 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160467134 1073973313 /nfs/dbraw/zinc/97/33/13/1073973313.db2.gz RBXVCBKPPDYHON-SMDDNHRTSA-N 1 2 387.400 -1.420 20 0 GAADLO [NH3+]CCC[C@H](Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)C(=O)[O-] ZINC001160594407 1073975632 /nfs/dbraw/zinc/97/56/32/1073975632.db2.gz OVDFWUUVKLABDG-LBPRGKRZSA-N 1 2 381.437 -1.429 20 0 GAADLO [NH3+]CCC[C@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)C(=O)[O-] ZINC001160594407 1073975627 /nfs/dbraw/zinc/97/56/27/1073975627.db2.gz OVDFWUUVKLABDG-LBPRGKRZSA-N 1 2 381.437 -1.429 20 0 GAADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1COCC[NH2+]1)C(=O)NCC(N)=O ZINC001160630172 1073976838 /nfs/dbraw/zinc/97/68/38/1073976838.db2.gz XHXBXJWAOLDCSA-IHRRRGAJSA-N 1 2 397.476 -1.902 20 0 GAADLO CSCC[C@H](Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)C(N)=O ZINC001160829957 1073981941 /nfs/dbraw/zinc/98/19/41/1073981941.db2.gz VMJOBYPVABCAAJ-LBPRGKRZSA-N 1 2 397.505 -1.014 20 0 GAADLO CSCC[C@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)C(N)=O ZINC001160829957 1073981936 /nfs/dbraw/zinc/98/19/36/1073981936.db2.gz VMJOBYPVABCAAJ-LBPRGKRZSA-N 1 2 397.505 -1.014 20 0 GAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160895642 1073983114 /nfs/dbraw/zinc/98/31/14/1073983114.db2.gz YJODQYQHTIBXQJ-HNNXBMFYSA-N 1 2 386.460 -1.427 20 0 GAADLO CNS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC001161732186 1073992517 /nfs/dbraw/zinc/99/25/17/1073992517.db2.gz CFFMRHGDMDVKNR-UHFFFAOYSA-N 1 2 392.522 -1.032 20 0 GAADLO O=C(N[C@H]1CCc2nnnn2CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001162167728 1074002202 /nfs/dbraw/zinc/00/22/02/1074002202.db2.gz SFGCZMNGDIULRB-KBPBESRZSA-N 1 2 377.449 -1.325 20 0 GAADLO O=C(N[C@H]1CCc2nnnn2CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001162167729 1074001988 /nfs/dbraw/zinc/00/19/88/1074001988.db2.gz SFGCZMNGDIULRB-KGLIPLIRSA-N 1 2 377.449 -1.325 20 0 GAADLO O=C(N[C@@H]1CCc2nnnn2CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001162167730 1074001927 /nfs/dbraw/zinc/00/19/27/1074001927.db2.gz SFGCZMNGDIULRB-UONOGXRCSA-N 1 2 377.449 -1.325 20 0 GAADLO O=C(N[C@@H]1CCc2nnnn2CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001162167731 1074001966 /nfs/dbraw/zinc/00/19/66/1074001966.db2.gz SFGCZMNGDIULRB-ZIAGYGMSSA-N 1 2 377.449 -1.325 20 0 GAADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(N)(=O)=O)nn3)CC2)C1=O ZINC001164644523 719283059 /nfs/dbraw/zinc/28/30/59/719283059.db2.gz NCUVTWYIRLAOSW-UHFFFAOYSA-N 1 2 398.489 -1.117 20 0 GAADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(S(N)(=O)=O)nn3)CC2)C1=O ZINC001164644523 719283058 /nfs/dbraw/zinc/28/30/58/719283058.db2.gz NCUVTWYIRLAOSW-UHFFFAOYSA-N 1 2 398.489 -1.117 20 0 GAADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(S(N)(=O)=O)nn3)C2)C1 ZINC001164722803 720302038 /nfs/dbraw/zinc/30/20/38/720302038.db2.gz SAGZRNNVDYYQSC-INIZCTEOSA-N 1 2 398.489 -1.211 20 0 GAADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(S(N)(=O)=O)nn3)C2)C1 ZINC001164722803 720302023 /nfs/dbraw/zinc/30/20/23/720302023.db2.gz SAGZRNNVDYYQSC-INIZCTEOSA-N 1 2 398.489 -1.211 20 0 GAADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(N)(=O)=O)nn3)C2)C1 ZINC001164722807 720301393 /nfs/dbraw/zinc/30/13/93/720301393.db2.gz SAGZRNNVDYYQSC-MRXNPFEDSA-N 1 2 398.489 -1.211 20 0 GAADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(N)(=O)=O)nn3)C2)C1 ZINC001164722807 720301383 /nfs/dbraw/zinc/30/13/83/720301383.db2.gz SAGZRNNVDYYQSC-MRXNPFEDSA-N 1 2 398.489 -1.211 20 0 GAADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)Nc1cnccn1 ZINC001165851471 1074005335 /nfs/dbraw/zinc/00/53/35/1074005335.db2.gz UBLDKICHRQWRAC-UHFFFAOYSA-N 1 2 376.373 -1.072 20 0 GAADLO CC(=O)N1CC(=O)NC[C@]12CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)C2 ZINC001166316003 1074005831 /nfs/dbraw/zinc/00/58/31/1074005831.db2.gz DKSAUQJOXLLMHA-ACJLOTCBSA-N 1 2 387.444 -1.142 20 0 GAADLO CC(=O)N1CC(=O)NC[C@]12CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)C2 ZINC001166316003 1074005823 /nfs/dbraw/zinc/00/58/23/1074005823.db2.gz DKSAUQJOXLLMHA-ACJLOTCBSA-N 1 2 387.444 -1.142 20 0 GAADLO CC(=O)N1CC(=O)NC[C@@]12CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)C2 ZINC001166316004 1074005792 /nfs/dbraw/zinc/00/57/92/1074005792.db2.gz DKSAUQJOXLLMHA-FZKQIMNGSA-N 1 2 387.444 -1.142 20 0 GAADLO CC(=O)N1CC(=O)NC[C@@]12CCN(c1cc(N3CCC[C@@H]3C(N)=O)nc[nH+]1)C2 ZINC001166316004 1074005786 /nfs/dbraw/zinc/00/57/86/1074005786.db2.gz DKSAUQJOXLLMHA-FZKQIMNGSA-N 1 2 387.444 -1.142 20 0 GAADLO CC(=O)N1CC(=O)NC[C@@]12CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)C2 ZINC001166316005 1074005923 /nfs/dbraw/zinc/00/59/23/1074005923.db2.gz DKSAUQJOXLLMHA-SCLBCKFNSA-N 1 2 387.444 -1.142 20 0 GAADLO CC(=O)N1CC(=O)NC[C@@]12CCN(c1cc(N3CCC[C@H]3C(N)=O)nc[nH+]1)C2 ZINC001166316005 1074005914 /nfs/dbraw/zinc/00/59/14/1074005914.db2.gz DKSAUQJOXLLMHA-SCLBCKFNSA-N 1 2 387.444 -1.142 20 0 GAADLO CC(=O)N1CC(=O)NC[C@]12CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)C2 ZINC001166316006 1074005974 /nfs/dbraw/zinc/00/59/74/1074005974.db2.gz DKSAUQJOXLLMHA-UGSOOPFHSA-N 1 2 387.444 -1.142 20 0 GAADLO 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/nfs/dbraw/zinc/41/75/57/1073417557.db2.gz FMCHGXPWYVGYFW-LBPRGKRZSA-N 1 2 379.421 -1.765 20 0 GAADLO NC(=O)[C@@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CCO1 ZINC001167069800 1073417553 /nfs/dbraw/zinc/41/75/53/1073417553.db2.gz FMCHGXPWYVGYFW-LBPRGKRZSA-N 1 2 379.421 -1.765 20 0 GAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001168348708 1074342894 /nfs/dbraw/zinc/34/28/94/1074342894.db2.gz GTHANHPZUJMDBG-CMPLNLGQSA-N 1 2 383.430 -1.265 20 0 GAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001168348713 1074342925 /nfs/dbraw/zinc/34/29/25/1074342925.db2.gz GTHANHPZUJMDBG-JQWIXIFHSA-N 1 2 383.430 -1.265 20 0 GAADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001168348815 1074342831 /nfs/dbraw/zinc/34/28/31/1074342831.db2.gz GTHANHPZUJMDBG-PWSUYJOCSA-N 1 2 383.430 -1.265 20 0 GAADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001168348818 1074342758 /nfs/dbraw/zinc/34/27/58/1074342758.db2.gz 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GAADLO CN1CC[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CC1=O ZINC001180638964 1075326436 /nfs/dbraw/zinc/32/64/36/1075326436.db2.gz NTWVILSBFKFQRF-XBFCOCLRSA-N 1 2 390.444 -1.218 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)C1CC1 ZINC001180851814 1075327201 /nfs/dbraw/zinc/32/72/01/1075327201.db2.gz CCLKBMVPWPCGDU-KBPBESRZSA-N 1 2 390.444 -1.170 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)C1CC1 ZINC001180851814 1075327197 /nfs/dbraw/zinc/32/71/97/1075327197.db2.gz CCLKBMVPWPCGDU-KBPBESRZSA-N 1 2 390.444 -1.170 20 0 GAADLO CS(=O)(=O)c1ccc(C(=O)CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001180911165 1075327597 /nfs/dbraw/zinc/32/75/97/1075327597.db2.gz CMXGEBDSVXJBPE-HRCADAONSA-N 1 2 381.458 -1.428 20 0 GAADLO CS(=O)(=O)c1ccc(C(=O)CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001180911173 1075327589 /nfs/dbraw/zinc/32/75/89/1075327589.db2.gz CMXGEBDSVXJBPE-JYJNAYRXSA-N 1 2 381.458 -1.428 20 0 GAADLO CS(=O)(=O)c1ccc(C(=O)CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001180911176 1075327553 /nfs/dbraw/zinc/32/75/53/1075327553.db2.gz CMXGEBDSVXJBPE-OWCLPIDISA-N 1 2 381.458 -1.428 20 0 GAADLO CS(=O)(=O)c1ccc(C(=O)CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001180911179 1075327547 /nfs/dbraw/zinc/32/75/47/1075327547.db2.gz CMXGEBDSVXJBPE-PMPSAXMXSA-N 1 2 381.458 -1.428 20 0 GAADLO C[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)N1CCCC1=O ZINC001181314192 1075329118 /nfs/dbraw/zinc/32/91/18/1075329118.db2.gz ZCEWXJJZUGXIBU-UBHSHLNASA-N 1 2 390.444 -1.076 20 0 GAADLO C[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)N1CCCC1=O ZINC001181314192 1075329110 /nfs/dbraw/zinc/32/91/10/1075329110.db2.gz ZCEWXJJZUGXIBU-UBHSHLNASA-N 1 2 390.444 -1.076 20 0 GAADLO C[C@@H]1C(=O)OC[C@@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094200 1075334223 /nfs/dbraw/zinc/33/42/23/1075334223.db2.gz ZOOZDVZHRYQVQL-BQUFFADESA-N 1 2 377.401 -1.278 20 0 GAADLO C[C@@H]1C(=O)OC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094200 1075334211 /nfs/dbraw/zinc/33/42/11/1075334211.db2.gz ZOOZDVZHRYQVQL-BQUFFADESA-N 1 2 377.401 -1.278 20 0 GAADLO C[C@H]1C(=O)OC[C@@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094201 1075334488 /nfs/dbraw/zinc/33/44/88/1075334488.db2.gz ZOOZDVZHRYQVQL-IXOXFDKPSA-N 1 2 377.401 -1.278 20 0 GAADLO C[C@H]1C(=O)OC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094201 1075334484 /nfs/dbraw/zinc/33/44/84/1075334484.db2.gz ZOOZDVZHRYQVQL-IXOXFDKPSA-N 1 2 377.401 -1.278 20 0 GAADLO C[C@@H]1C(=O)OC[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094204 1075334583 /nfs/dbraw/zinc/33/45/83/1075334583.db2.gz ZOOZDVZHRYQVQL-RYDUCSDGSA-N 1 2 377.401 -1.278 20 0 GAADLO C[C@@H]1C(=O)OC[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094204 1075334577 /nfs/dbraw/zinc/33/45/77/1075334577.db2.gz ZOOZDVZHRYQVQL-RYDUCSDGSA-N 1 2 377.401 -1.278 20 0 GAADLO C[C@H]1C(=O)OC[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094207 1075334710 /nfs/dbraw/zinc/33/47/10/1075334710.db2.gz ZOOZDVZHRYQVQL-XEZLXBQYSA-N 1 2 377.401 -1.278 20 0 GAADLO C[C@H]1C(=O)OC[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182094207 1075334706 /nfs/dbraw/zinc/33/47/06/1075334706.db2.gz ZOOZDVZHRYQVQL-XEZLXBQYSA-N 1 2 377.401 -1.278 20 0 GAADLO CC(=O)N[C@@H](CCO)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182146037 1075334617 /nfs/dbraw/zinc/33/46/17/1075334617.db2.gz QAJSAKBGJRIUEW-IHRRRGAJSA-N 1 2 394.432 -2.200 20 0 GAADLO CC(=O)N[C@@H](CCO)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182146037 1075334611 /nfs/dbraw/zinc/33/46/11/1075334611.db2.gz QAJSAKBGJRIUEW-IHRRRGAJSA-N 1 2 394.432 -2.200 20 0 GAADLO CC(=O)N[C@H](CCO)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182146038 1075334644 /nfs/dbraw/zinc/33/46/44/1075334644.db2.gz QAJSAKBGJRIUEW-RDBSUJKOSA-N 1 2 394.432 -2.200 20 0 GAADLO CC(=O)N[C@H](CCO)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182146038 1075334640 /nfs/dbraw/zinc/33/46/40/1075334640.db2.gz QAJSAKBGJRIUEW-RDBSUJKOSA-N 1 2 394.432 -2.200 20 0 GAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1CS(=O)(=O)C1)CC2 ZINC001182812952 1075338244 /nfs/dbraw/zinc/33/82/44/1075338244.db2.gz DZGSKSPPNKXNIJ-UHFFFAOYSA-N 1 2 395.485 -1.263 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CS(=O)(=O)C1 ZINC001182817600 1075338634 /nfs/dbraw/zinc/33/86/34/1075338634.db2.gz ZLQRCJWJRCWHGE-RYUDHWBXSA-N 1 2 383.430 -2.042 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CS(=O)(=O)C1 ZINC001182817600 1075338630 /nfs/dbraw/zinc/33/86/30/1075338630.db2.gz ZLQRCJWJRCWHGE-RYUDHWBXSA-N 1 2 383.430 -2.042 20 0 GAADLO CN1C[C@@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)NC1=O ZINC001183071293 1075340502 /nfs/dbraw/zinc/34/05/02/1075340502.db2.gz UPWQROAKGZYPJH-ZDUSSCGKSA-N 1 2 389.460 -1.284 20 0 GAADLO CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O ZINC001183079528 1075340829 /nfs/dbraw/zinc/34/08/29/1075340829.db2.gz LTUBQISXJBMBPH-SRVKXCTJSA-N 1 2 377.405 -2.063 20 0 GAADLO CN1C[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O ZINC001183079528 1075340824 /nfs/dbraw/zinc/34/08/24/1075340824.db2.gz LTUBQISXJBMBPH-SRVKXCTJSA-N 1 2 377.405 -2.063 20 0 GAADLO CC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O ZINC001183701695 1075343521 /nfs/dbraw/zinc/34/35/21/1075343521.db2.gz CNEYQSDISLBKRI-HYNSBDGHSA-N 1 2 394.432 -2.201 20 0 GAADLO CC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O ZINC001183701695 1075343516 /nfs/dbraw/zinc/34/35/16/1075343516.db2.gz CNEYQSDISLBKRI-HYNSBDGHSA-N 1 2 394.432 -2.201 20 0 GAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183717123 1075343952 /nfs/dbraw/zinc/34/39/52/1075343952.db2.gz GEMBLKVOLWAQMH-FHSNZYRGSA-N 1 2 396.444 -1.754 20 0 GAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183717127 1075343985 /nfs/dbraw/zinc/34/39/85/1075343985.db2.gz GEMBLKVOLWAQMH-LXIYXOSZSA-N 1 2 396.444 -1.754 20 0 GAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183717129 1075343921 /nfs/dbraw/zinc/34/39/21/1075343921.db2.gz GEMBLKVOLWAQMH-VBHSOAQHSA-N 1 2 396.444 -1.754 20 0 GAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183717130 1075343907 /nfs/dbraw/zinc/34/39/07/1075343907.db2.gz GEMBLKVOLWAQMH-ZJNRKIDTSA-N 1 2 396.444 -1.754 20 0 GAADLO O=C(C[C@@H]1NC(=O)CNC1=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001183718088 1075344270 /nfs/dbraw/zinc/34/42/70/1075344270.db2.gz LRMHXAHLRNLFTO-ZDUSSCGKSA-N 1 2 399.411 -1.775 20 0 GAADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@@H]1NC(=O)CNC1=O)C2 ZINC001183719370 1075344700 /nfs/dbraw/zinc/34/47/00/1075344700.db2.gz UESWBALERSARAX-LBPRGKRZSA-N 1 2 377.449 -1.145 20 0 GAADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@@H]1NC(=O)CNC1=O)C2 ZINC001183719370 1075344696 /nfs/dbraw/zinc/34/46/96/1075344696.db2.gz UESWBALERSARAX-LBPRGKRZSA-N 1 2 377.449 -1.145 20 0 GAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1(CO)COC1)CC2 ZINC001184043506 1075346855 /nfs/dbraw/zinc/34/68/55/1075346855.db2.gz VUJCSRMEVJISNY-UHFFFAOYSA-N 1 2 377.445 -1.299 20 0 GAADLO C[C@@H]1NC(=O)[C@H](CCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)NC1=O ZINC001184065089 1075346515 /nfs/dbraw/zinc/34/65/15/1075346515.db2.gz WQGHCMCLWRSEDH-JSGCOSHPSA-N 1 2 378.433 -1.063 20 0 GAADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O ZINC001184103216 1075347235 /nfs/dbraw/zinc/34/72/35/1075347235.db2.gz ZNRLFMGASBNGKX-DRZSPHRISA-N 1 2 379.417 -1.206 20 0 GAADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC001184534012 1075348487 /nfs/dbraw/zinc/34/84/87/1075348487.db2.gz LIONPQZOXMPSPQ-GFCCVEGCSA-N 1 2 378.476 -1.162 20 0 GAADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC001184534014 1075348514 /nfs/dbraw/zinc/34/85/14/1075348514.db2.gz LIONPQZOXMPSPQ-LBPRGKRZSA-N 1 2 378.476 -1.162 20 0 GAADLO O=C(C(=O)N1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1)N1CCOCC1 ZINC001184908535 1075349500 /nfs/dbraw/zinc/34/95/00/1075349500.db2.gz CZEUAWBLULVBEO-UHFFFAOYSA-N 1 2 385.446 -1.784 20 0 GAADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001185346315 1075351028 /nfs/dbraw/zinc/35/10/28/1075351028.db2.gz XFIYNSSODUCYPX-UHFFFAOYSA-N 1 2 387.462 -1.245 20 0 GAADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001186587739 1075357700 /nfs/dbraw/zinc/35/77/00/1075357700.db2.gz MUBLWOUFUBZPHE-AWEZNQCLSA-N 1 2 382.421 -2.233 20 0 GAADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001186594030 1075359806 /nfs/dbraw/zinc/35/98/06/1075359806.db2.gz GNIBSUOFFNBLCP-AWEZNQCLSA-N 1 2 390.400 -1.583 20 0 GAADLO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001186595661 1075360170 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/nfs/dbraw/zinc/40/63/48/1075406348.db2.gz ZKDOVLPSXPXDIQ-RGCMKSIDSA-N 1 2 390.444 -1.327 20 0 GAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1)S(C)(=O)=O ZINC001196313516 1075406290 /nfs/dbraw/zinc/40/62/90/1075406290.db2.gz INNHYGKWDUYLLU-GBJTYRQASA-N 1 2 385.490 -1.424 20 0 GAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1)S(C)(=O)=O ZINC001196313516 1075406288 /nfs/dbraw/zinc/40/62/88/1075406288.db2.gz INNHYGKWDUYLLU-GBJTYRQASA-N 1 2 385.490 -1.424 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1snnc1CO ZINC001196367704 1075407380 /nfs/dbraw/zinc/40/73/80/1075407380.db2.gz AIBDNTNBOIMYIZ-ONGXEEELSA-N 1 2 393.429 -1.429 20 0 GAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1snnc1CO ZINC001196367704 1075407376 /nfs/dbraw/zinc/40/73/76/1075407376.db2.gz AIBDNTNBOIMYIZ-ONGXEEELSA-N 1 2 393.429 -1.429 20 0 GAADLO Cc1nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c[nH]c1=O ZINC001196528522 1075407290 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1075408326 /nfs/dbraw/zinc/40/83/26/1075408326.db2.gz UEBUSQZNSMLLIF-QBPKDAKJSA-N 1 2 391.472 -1.024 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+](CC(N)=O)C2CCOCC2)CC1 ZINC001197385062 1075409840 /nfs/dbraw/zinc/40/98/40/1075409840.db2.gz OTLIQYPHRXQZAK-UHFFFAOYSA-N 1 2 376.479 -1.507 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+](CC(N)=O)C2CCOCC2)CC1 ZINC001197385062 1075409837 /nfs/dbraw/zinc/40/98/37/1075409837.db2.gz OTLIQYPHRXQZAK-UHFFFAOYSA-N 1 2 376.479 -1.507 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)CC1 ZINC001198164063 1075412782 /nfs/dbraw/zinc/41/27/82/1075412782.db2.gz CGHZNWYMGVUDHV-INIZCTEOSA-N 1 2 390.506 -2.095 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)CC1 ZINC001198164063 1075412780 /nfs/dbraw/zinc/41/27/80/1075412780.db2.gz CGHZNWYMGVUDHV-INIZCTEOSA-N 1 2 390.506 -2.095 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)CC1 ZINC001198164074 1075412768 /nfs/dbraw/zinc/41/27/68/1075412768.db2.gz CGHZNWYMGVUDHV-MRXNPFEDSA-N 1 2 390.506 -2.095 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCN3CCOC[C@]3(CO)C2)CC1 ZINC001198164074 1075412766 /nfs/dbraw/zinc/41/27/66/1075412766.db2.gz CGHZNWYMGVUDHV-MRXNPFEDSA-N 1 2 390.506 -2.095 20 0 GAADLO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001207700289 1074007639 /nfs/dbraw/zinc/00/76/39/1074007639.db2.gz MDNHOZQPMDVBBB-OYBPUVFXSA-N 1 2 382.339 -1.036 20 0 GAADLO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001207700289 1074007630 /nfs/dbraw/zinc/00/76/30/1074007630.db2.gz MDNHOZQPMDVBBB-OYBPUVFXSA-N 1 2 382.339 -1.036 20 0 GAADLO C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001208044762 1074007527 /nfs/dbraw/zinc/00/75/27/1074007527.db2.gz XLRJXMYEZQHABP-LPWJVIDDSA-N 1 2 380.449 -1.142 20 0 GAADLO C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001208044762 1074007517 /nfs/dbraw/zinc/00/75/17/1074007517.db2.gz XLRJXMYEZQHABP-LPWJVIDDSA-N 1 2 380.449 -1.142 20 0 GAADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CCS(=O)(=O)N(C)C)CC1 ZINC001208332487 1074007912 /nfs/dbraw/zinc/00/79/12/1074007912.db2.gz SVQSKYJIJLZJOV-UHFFFAOYSA-N 1 2 398.551 -1.212 20 0 GAADLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001208580211 1074008450 /nfs/dbraw/zinc/00/84/50/1074008450.db2.gz OHFBPXLPMQXOEK-FOUMNBMASA-N 1 2 381.433 -1.556 20 0 GAADLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001208580211 1074008443 /nfs/dbraw/zinc/00/84/43/1074008443.db2.gz OHFBPXLPMQXOEK-FOUMNBMASA-N 1 2 381.433 -1.556 20 0 GAADLO CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001208580428 1074008326 /nfs/dbraw/zinc/00/83/26/1074008326.db2.gz QMRFSFZZKCEZMP-FVCCEPFGSA-N 1 2 383.449 -1.308 20 0 GAADLO CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001208580428 1074008317 /nfs/dbraw/zinc/00/83/17/1074008317.db2.gz QMRFSFZZKCEZMP-FVCCEPFGSA-N 1 2 383.449 -1.308 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001208580470 1074008353 /nfs/dbraw/zinc/00/83/53/1074008353.db2.gz SIKJUDFZGZZUSZ-LPWJVIDDSA-N 1 2 383.449 -1.486 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001208580470 1074008344 /nfs/dbraw/zinc/00/83/44/1074008344.db2.gz SIKJUDFZGZZUSZ-LPWJVIDDSA-N 1 2 383.449 -1.486 20 0 GAADLO C[C@@H]1C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001208605198 1074008489 /nfs/dbraw/zinc/00/84/89/1074008489.db2.gz PDBCFQKJDBPKJT-FVCCEPFGSA-N 1 2 381.477 -1.425 20 0 GAADLO C[C@@H]1C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001208605198 1074008481 /nfs/dbraw/zinc/00/84/81/1074008481.db2.gz PDBCFQKJDBPKJT-FVCCEPFGSA-N 1 2 381.477 -1.425 20 0 GAADLO COCCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001208605207 1074008536 /nfs/dbraw/zinc/00/85/36/1074008536.db2.gz PGABRDGCORUSEE-YIYPIFLZSA-N 1 2 375.491 -1.004 20 0 GAADLO COCCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001208605207 1074008528 /nfs/dbraw/zinc/00/85/28/1074008528.db2.gz PGABRDGCORUSEE-YIYPIFLZSA-N 1 2 375.491 -1.004 20 0 GAADLO C[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001208657415 1074008954 /nfs/dbraw/zinc/00/89/54/1074008954.db2.gz HLSJIIJLHYCYKN-YIYPIFLZSA-N 1 2 379.461 -1.717 20 0 GAADLO C[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001208657415 1074008945 /nfs/dbraw/zinc/00/89/45/1074008945.db2.gz HLSJIIJLHYCYKN-YIYPIFLZSA-N 1 2 379.461 -1.717 20 0 GAADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001208657836 1074009043 /nfs/dbraw/zinc/00/90/43/1074009043.db2.gz OKAAXQATWPKLBT-YIYPIFLZSA-N 1 2 381.477 -1.471 20 0 GAADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001208657836 1074009032 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386.474 -1.106 20 0 GAADLO C[C@@H](O)CC(=O)N1C[C@@H](C(=O)NCCS(C)(=O)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001274428730 1075542303 /nfs/dbraw/zinc/54/23/03/1075542303.db2.gz PBHBRFZTCBLCJP-JHJVBQTASA-N 1 2 386.474 -1.106 20 0 GAADLO C[C@H](O)CC(=O)N1C[C@@H](C(=O)NCCS(C)(=O)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001274428731 1075542329 /nfs/dbraw/zinc/54/23/29/1075542329.db2.gz PBHBRFZTCBLCJP-YNEHKIRRSA-N 1 2 386.474 -1.106 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2Cc3n[nH]c(C(=O)NCCS(C)(=O)=O)c3C2)C1 ZINC001274575678 1075554562 /nfs/dbraw/zinc/55/45/62/1075554562.db2.gz QVQJAQQMGKFVDJ-GFCCVEGCSA-N 1 2 385.446 -1.643 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2Cc3n[nH]c(C(=O)NCCS(C)(=O)=O)c3C2)C1 ZINC001274575678 1075554556 /nfs/dbraw/zinc/55/45/56/1075554556.db2.gz QVQJAQQMGKFVDJ-GFCCVEGCSA-N 1 2 385.446 -1.643 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2Cc3n[nH]c(C(=O)NCCS(C)(=O)=O)c3C2)C1 ZINC001274575683 1075554602 /nfs/dbraw/zinc/55/46/02/1075554602.db2.gz QVQJAQQMGKFVDJ-LBPRGKRZSA-N 1 2 385.446 -1.643 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2Cc3n[nH]c(C(=O)NCCS(C)(=O)=O)c3C2)C1 ZINC001274575683 1075554598 /nfs/dbraw/zinc/55/45/98/1075554598.db2.gz QVQJAQQMGKFVDJ-LBPRGKRZSA-N 1 2 385.446 -1.643 20 0 GAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CCO3)C[C@H]2C(=O)NCCS(C)(=O)=O)c1 ZINC001274952221 1075566462 /nfs/dbraw/zinc/56/64/62/1075566462.db2.gz FTICAYWJSAXWNV-BZPMIXESSA-N 1 2 384.458 -1.088 20 0 GAADLO Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CCO3)C[C@H]2C(=O)NCCS(C)(=O)=O)c1 ZINC001274952223 1075566455 /nfs/dbraw/zinc/56/64/55/1075566455.db2.gz FTICAYWJSAXWNV-YRGRVCCFSA-N 1 2 384.458 -1.088 20 0 GAADLO CCS(=O)(=O)CCN1CC2(CN(CC[NH+]3CCOCC3)C2)OCC1=O ZINC001275287265 1075573852 /nfs/dbraw/zinc/57/38/52/1075573852.db2.gz MEKYHKIYJODZEW-UHFFFAOYSA-N 1 2 375.491 -1.334 20 0 GAADLO CN(C)C(=O)[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@H]1c1cn(C)c[nH+]1 ZINC001275671697 1075588114 /nfs/dbraw/zinc/58/81/14/1075588114.db2.gz JYTCGXMUTVQJDQ-CHWSQXEVSA-N 1 2 383.474 -1.058 20 0 GAADLO 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COC[C@H](C(=O)OC)N1C[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743661 1074018487 /nfs/dbraw/zinc/01/84/87/1074018487.db2.gz LPIOEVMFYNQVDK-DOMZBBRYSA-N 1 2 378.447 -1.478 20 0 GAADLO COC[C@H](C(=O)OC)N1C[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743661 1074018478 /nfs/dbraw/zinc/01/84/78/1074018478.db2.gz LPIOEVMFYNQVDK-DOMZBBRYSA-N 1 2 378.447 -1.478 20 0 GAADLO COC[C@H](C(=O)OC)N1C[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743663 1074018304 /nfs/dbraw/zinc/01/83/04/1074018304.db2.gz LPIOEVMFYNQVDK-IUODEOHRSA-N 1 2 378.447 -1.478 20 0 GAADLO COC[C@H](C(=O)OC)N1C[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743663 1074018296 /nfs/dbraw/zinc/01/82/96/1074018296.db2.gz LPIOEVMFYNQVDK-IUODEOHRSA-N 1 2 378.447 -1.478 20 0 GAADLO COC[C@@H](C(=O)OC)N1C[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743664 1074018260 /nfs/dbraw/zinc/01/82/60/1074018260.db2.gz LPIOEVMFYNQVDK-SWLSCSKDSA-N 1 2 378.447 -1.478 20 0 GAADLO COC[C@@H](C(=O)OC)N1C[C@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743664 1074018251 /nfs/dbraw/zinc/01/82/51/1074018251.db2.gz LPIOEVMFYNQVDK-SWLSCSKDSA-N 1 2 378.447 -1.478 20 0 GAADLO COC[C@@H](C(=O)OC)N1C[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743665 1074018376 /nfs/dbraw/zinc/01/83/76/1074018376.db2.gz LPIOEVMFYNQVDK-WFASDCNBSA-N 1 2 378.447 -1.478 20 0 GAADLO COC[C@@H](C(=O)OC)N1C[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)OCC1=O ZINC001276743665 1074018368 /nfs/dbraw/zinc/01/83/68/1074018368.db2.gz LPIOEVMFYNQVDK-WFASDCNBSA-N 1 2 378.447 -1.478 20 0 GAADLO CS(=O)(=O)CC[N@H+]1CC[C@]2(C1)CN(CCN1CCOCC1)C(=O)CO2 ZINC001276743690 1074018189 /nfs/dbraw/zinc/01/81/89/1074018189.db2.gz MAVFHLUOFCWSLB-INIZCTEOSA-N 1 2 375.491 -1.334 20 0 GAADLO CS(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CN(CCN1CCOCC1)C(=O)CO2 ZINC001276743690 1074018184 /nfs/dbraw/zinc/01/81/84/1074018184.db2.gz MAVFHLUOFCWSLB-INIZCTEOSA-N 1 2 375.491 -1.334 20 0 GAADLO CS(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CN(CCN1CCOCC1)C(=O)CO2 ZINC001276743691 1074018236 /nfs/dbraw/zinc/01/82/36/1074018236.db2.gz MAVFHLUOFCWSLB-MRXNPFEDSA-N 1 2 375.491 -1.334 20 0 GAADLO CS(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CN(CCN1CCOCC1)C(=O)CO2 ZINC001276743691 1074018231 /nfs/dbraw/zinc/01/82/31/1074018231.db2.gz MAVFHLUOFCWSLB-MRXNPFEDSA-N 1 2 375.491 -1.334 20 0 GAADLO CS(=O)(=O)CC[N@H+]1CCOC[C@@]2(CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001276744194 1074018326 /nfs/dbraw/zinc/01/83/26/1074018326.db2.gz QPQDXRONDHPVII-KRWDZBQOSA-N 1 2 389.518 -1.086 20 0 GAADLO CS(=O)(=O)CC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001276744194 1074018323 /nfs/dbraw/zinc/01/83/23/1074018323.db2.gz QPQDXRONDHPVII-KRWDZBQOSA-N 1 2 389.518 -1.086 20 0 GAADLO CS(=O)(=O)CC[N@H+]1CCOC[C@]2(CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001276744199 1074018928 /nfs/dbraw/zinc/01/89/28/1074018928.db2.gz QPQDXRONDHPVII-QGZVFWFLSA-N 1 2 389.518 -1.086 20 0 GAADLO CS(=O)(=O)CC[N@@H+]1CCOC[C@]2(CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001276744199 1074018919 /nfs/dbraw/zinc/01/89/19/1074018919.db2.gz QPQDXRONDHPVII-QGZVFWFLSA-N 1 2 389.518 -1.086 20 0 GAADLO CCS(=O)(=O)CC[N@H+]1CC[C@]2(C1)CN([C@@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771657 1074019170 /nfs/dbraw/zinc/01/91/70/1074019170.db2.gz GKSZDDGNKBYBIE-BBRMVZONSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CN([C@@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771657 1074019160 /nfs/dbraw/zinc/01/91/60/1074019160.db2.gz GKSZDDGNKBYBIE-BBRMVZONSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CC[N@H+]1CC[C@]2(C1)CN([C@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771660 1074019249 /nfs/dbraw/zinc/01/92/49/1074019249.db2.gz GKSZDDGNKBYBIE-CJNGLKHVSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CN([C@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771660 1074019245 /nfs/dbraw/zinc/01/92/45/1074019245.db2.gz GKSZDDGNKBYBIE-CJNGLKHVSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CN([C@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771661 1074019148 /nfs/dbraw/zinc/01/91/48/1074019148.db2.gz GKSZDDGNKBYBIE-CZUORRHYSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CN([C@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771661 1074019141 /nfs/dbraw/zinc/01/91/41/1074019141.db2.gz GKSZDDGNKBYBIE-CZUORRHYSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CN([C@@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771662 1074019276 /nfs/dbraw/zinc/01/92/76/1074019276.db2.gz GKSZDDGNKBYBIE-XJKSGUPXSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CN([C@@H](COC)C(=O)OC)C(=O)CO2 ZINC001276771662 1074019269 /nfs/dbraw/zinc/01/92/69/1074019269.db2.gz GKSZDDGNKBYBIE-XJKSGUPXSA-N 1 2 392.474 -1.088 20 0 GAADLO CCS(=O)(=O)CCN1C[C@@]2(CC[N@@H+](C[C@@H](O)C(=O)OC)C2)OCC1=O ZINC001277773745 1074080449 /nfs/dbraw/zinc/08/04/49/1074080449.db2.gz VTKFVVSTXMMZTI-DOMZBBRYSA-N 1 2 378.447 -1.742 20 0 GAADLO CCS(=O)(=O)CCN1C[C@@]2(CC[N@H+](C[C@@H](O)C(=O)OC)C2)OCC1=O ZINC001277773745 1074080443 /nfs/dbraw/zinc/08/04/43/1074080443.db2.gz VTKFVVSTXMMZTI-DOMZBBRYSA-N 1 2 378.447 -1.742 20 0 GAADLO CCS(=O)(=O)CCN1C[C@]2(CC[N@@H+](C[C@@H](O)C(=O)OC)C2)OCC1=O ZINC001277773746 1074080368 /nfs/dbraw/zinc/08/03/68/1074080368.db2.gz VTKFVVSTXMMZTI-IUODEOHRSA-N 1 2 378.447 -1.742 20 0 GAADLO CCS(=O)(=O)CCN1C[C@]2(CC[N@H+](C[C@@H](O)C(=O)OC)C2)OCC1=O ZINC001277773746 1074080358 /nfs/dbraw/zinc/08/03/58/1074080358.db2.gz VTKFVVSTXMMZTI-IUODEOHRSA-N 1 2 378.447 -1.742 20 0 GAADLO CCS(=O)(=O)CCN1C[C@]2(CC[N@@H+](C[C@H](O)C(=O)OC)C2)OCC1=O ZINC001277773747 1074080272 /nfs/dbraw/zinc/08/02/72/1074080272.db2.gz VTKFVVSTXMMZTI-SWLSCSKDSA-N 1 2 378.447 -1.742 20 0 GAADLO CCS(=O)(=O)CCN1C[C@]2(CC[N@H+](C[C@H](O)C(=O)OC)C2)OCC1=O ZINC001277773747 1074080268 /nfs/dbraw/zinc/08/02/68/1074080268.db2.gz VTKFVVSTXMMZTI-SWLSCSKDSA-N 1 2 378.447 -1.742 20 0 GAADLO CCS(=O)(=O)CCN1C[C@@]2(CC[N@@H+](C[C@H](O)C(=O)OC)C2)OCC1=O ZINC001277773748 1074080328 /nfs/dbraw/zinc/08/03/28/1074080328.db2.gz VTKFVVSTXMMZTI-WFASDCNBSA-N 1 2 378.447 -1.742 20 0 GAADLO CCS(=O)(=O)CCN1C[C@@]2(CC[N@H+](C[C@H](O)C(=O)OC)C2)OCC1=O ZINC001277773748 1074080316 /nfs/dbraw/zinc/08/03/16/1074080316.db2.gz VTKFVVSTXMMZTI-WFASDCNBSA-N 1 2 378.447 -1.742 20 0 GAADLO C[C@H](C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1)C(F)(F)F ZINC001278142745 1074087387 /nfs/dbraw/zinc/08/73/87/1074087387.db2.gz VPCGLTKYWNOKNT-KXTOZSSYSA-N 1 2 384.351 -1.729 20 0 GAADLO C[C@@H](C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1)C(F)(F)F ZINC001278142746 1074087413 /nfs/dbraw/zinc/08/74/13/1074087413.db2.gz VPCGLTKYWNOKNT-NTWGFAFESA-N 1 2 384.351 -1.729 20 0 GAADLO C[C@@H](C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1)C(F)(F)F ZINC001278142747 1074087507 /nfs/dbraw/zinc/08/75/07/1074087507.db2.gz VPCGLTKYWNOKNT-URASHGAGSA-N 1 2 384.351 -1.729 20 0 GAADLO C[C@H](C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1)C(F)(F)F ZINC001278142748 1074087357 /nfs/dbraw/zinc/08/73/57/1074087357.db2.gz VPCGLTKYWNOKNT-VCVVBWPESA-N 1 2 384.351 -1.729 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CC3(C2)CN(Cc2c[nH+]cn2C)C(=O)CO3)c1 ZINC001278221516 1074088422 /nfs/dbraw/zinc/08/84/22/1074088422.db2.gz FCBDRYOGEXLKKJ-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CC3(C2)COCC(=O)N3Cc2c[nH+]cn2C)c1 ZINC001278222548 1074089238 /nfs/dbraw/zinc/08/92/38/1074089238.db2.gz OMMNIEZHWWMGHC-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CC3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c1 ZINC001278223309 1074089836 /nfs/dbraw/zinc/08/98/36/1074089836.db2.gz RXVKLXINFVIQAA-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO COC(=O)CS(=O)(=O)N1C[C@]2(F)CN(Cc3c[nH+]cn3C)C(=O)[C@]2(F)C1 ZINC001278224250 1074090319 /nfs/dbraw/zinc/09/03/19/1074090319.db2.gz IBQPXOZHYFOABR-ZIAGYGMSSA-N 1 2 392.384 -1.003 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CC3(C2)COCC(=O)N3CCn2cc[nH+]c2)c1 ZINC001278224919 1074090752 /nfs/dbraw/zinc/09/07/52/1074090752.db2.gz ZLYNMAYEBBHVBG-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO COC(=O)CS(=O)(=O)N1C[C@]2(F)CN(CCn3cc[nH+]c3)C(=O)[C@]2(F)C1 ZINC001278225945 1074091215 /nfs/dbraw/zinc/09/12/15/1074091215.db2.gz PCNPOVYLXVUMAE-ZIAGYGMSSA-N 1 2 392.384 -1.040 20 0 GAADLO COC(=O)CS(=O)(=O)N1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001278225993 1074091173 /nfs/dbraw/zinc/09/11/73/1074091173.db2.gz PKKJPPOUJKMWGN-HNNXBMFYSA-N 1 2 386.430 -1.311 20 0 GAADLO COC(=O)CS(=O)(=O)N1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001278226002 1074091229 /nfs/dbraw/zinc/09/12/29/1074091229.db2.gz PKKJPPOUJKMWGN-OAHLLOKOSA-N 1 2 386.430 -1.311 20 0 GAADLO COC(=O)CS(=O)(=O)N1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001278226742 1074091070 /nfs/dbraw/zinc/09/10/70/1074091070.db2.gz RUAIBECYUGNVKV-HNNXBMFYSA-N 1 2 386.430 -1.274 20 0 GAADLO COC(=O)CS(=O)(=O)N1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001278226744 1074091140 /nfs/dbraw/zinc/09/11/40/1074091140.db2.gz RUAIBECYUGNVKV-OAHLLOKOSA-N 1 2 386.430 -1.274 20 0 GAADLO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CCC12C[NH+](CCCC(F)(F)F)C2 ZINC001278458021 1074097381 /nfs/dbraw/zinc/09/73/81/1074097381.db2.gz BIGDLKVSOOJDES-FTEPDLOASA-N 1 2 384.351 -1.585 20 0 GAADLO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CCC12C[NH+](CCCC(F)(F)F)C2 ZINC001278458023 1074097420 /nfs/dbraw/zinc/09/74/20/1074097420.db2.gz BIGDLKVSOOJDES-YHMTXAQFSA-N 1 2 384.351 -1.585 20 0 GAADLO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC001278458436 1074097504 /nfs/dbraw/zinc/09/75/04/1074097504.db2.gz IUJBNVPJIPUOOK-BBDLJKNJSA-N 1 2 384.351 -1.586 20 0 GAADLO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001278458436 1074097497 /nfs/dbraw/zinc/09/74/97/1074097497.db2.gz IUJBNVPJIPUOOK-BBDLJKNJSA-N 1 2 384.351 -1.586 20 0 GAADLO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC001278458437 1074097567 /nfs/dbraw/zinc/09/75/67/1074097567.db2.gz IUJBNVPJIPUOOK-GUDJTOLZSA-N 1 2 384.351 -1.586 20 0 GAADLO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1C[C@H]2C[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001278458437 1074097561 /nfs/dbraw/zinc/09/75/61/1074097561.db2.gz IUJBNVPJIPUOOK-GUDJTOLZSA-N 1 2 384.351 -1.586 20 0 GAADLO COC(=O)CCS(=O)(=O)N1CC2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001278753170 1074129107 /nfs/dbraw/zinc/12/91/07/1074129107.db2.gz DBYYNKQHIURPOY-UHFFFAOYSA-N 1 2 386.430 -1.274 20 0 GAADLO COC(=O)CCS(=O)(=O)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001278753727 1074129543 /nfs/dbraw/zinc/12/95/43/1074129543.db2.gz HXGOFRNFYSFVDW-UHFFFAOYSA-N 1 2 386.430 -1.311 20 0 GAADLO COC(=O)CCS(=O)(=O)N1CC2(C1)COCC(=O)N2Cc1c[nH+]cn1C ZINC001278754364 1074130004 /nfs/dbraw/zinc/13/00/04/1074130004.db2.gz PCWSKCVAFKLCFH-UHFFFAOYSA-N 1 2 386.430 -1.274 20 0 GAADLO COC(=O)CCS(=O)(=O)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001278754688 1074130079 /nfs/dbraw/zinc/13/00/79/1074130079.db2.gz TVDMJSBHUOHSFY-UHFFFAOYSA-N 1 2 386.430 -1.311 20 0 GAADLO Cn1ccnc1S(=O)(=O)N1CC2(C1)COCC(=O)N2Cc1c[nH+]cn1C ZINC001278847148 1074149148 /nfs/dbraw/zinc/14/91/48/1074149148.db2.gz GPYGRKQZPSXJCZ-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO Cn1ccnc1S(=O)(=O)N1CC2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001278847499 1074149142 /nfs/dbraw/zinc/14/91/42/1074149142.db2.gz RDZMPMBHFXAINH-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO Cn1ccnc1S(=O)(=O)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001278847689 1074149082 /nfs/dbraw/zinc/14/90/82/1074149082.db2.gz VARZHISSIZTZDZ-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO Cn1ccnc1S(=O)(=O)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001278847717 1074149789 /nfs/dbraw/zinc/14/97/89/1074149789.db2.gz VNRSSGNMVRVJIX-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO Cc1ccsc1C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001279166042 1074270363 /nfs/dbraw/zinc/27/03/63/1074270363.db2.gz LFWVEFRUKNMQNC-ADVQIIOHSA-N 1 2 384.454 -1.357 20 0 GAADLO Cc1ccsc1C[NH+]1CC2(CCN2C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC001279166046 1074270201 /nfs/dbraw/zinc/27/02/01/1074270201.db2.gz LFWVEFRUKNMQNC-SQCNAZHOSA-N 1 2 384.454 -1.357 20 0 GAADLO Cc1ccc(C[NH+]2CC3(CCN3C(=O)[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)s1 ZINC001279168091 1074270727 /nfs/dbraw/zinc/27/07/27/1074270727.db2.gz WDOYUHKMVGZFNX-ADVQIIOHSA-N 1 2 384.454 -1.357 20 0 GAADLO Cc1ccc(C[NH+]2CC3(CCN3C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)s1 ZINC001279168092 1074270742 /nfs/dbraw/zinc/27/07/42/1074270742.db2.gz WDOYUHKMVGZFNX-SQCNAZHOSA-N 1 2 384.454 -1.357 20 0 GAADLO Cn1cc(S(=O)(=O)N2CC3(C2)COCC(=O)N3CCn2cc[nH+]c2)cn1 ZINC001279196872 1074271575 /nfs/dbraw/zinc/27/15/75/1074271575.db2.gz CRORKKUFYYNRCX-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO Cn1cc(S(=O)(=O)N2CC3(C2)CN(Cc2c[nH+]cn2C)C(=O)CO3)cn1 ZINC001279197056 1074271558 /nfs/dbraw/zinc/27/15/58/1074271558.db2.gz ICECCRYWLHNQBH-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO Cn1cc(S(=O)(=O)N2CC3(C2)COCC(=O)N3Cc2c[nH+]cn2C)cn1 ZINC001279197343 1074271614 /nfs/dbraw/zinc/27/16/14/1074271614.db2.gz RYKVIHQGYWMRNH-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO Cn1cc(S(=O)(=O)N2CC3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001279197401 1074271906 /nfs/dbraw/zinc/27/19/06/1074271906.db2.gz UUCJIRZCNHTAEE-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO Cn1ccc(S(=O)(=O)N2CC3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)n1 ZINC001279207265 1074266814 /nfs/dbraw/zinc/26/68/14/1074266814.db2.gz BXINCFNQVQGUNI-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO Cn1ccc(S(=O)(=O)N2CC3(C2)COCC(=O)N3CCn2cc[nH+]c2)n1 ZINC001279207566 1074267731 /nfs/dbraw/zinc/26/77/31/1074267731.db2.gz IPJDSVXXZJMABO-UHFFFAOYSA-N 1 2 380.430 -1.081 20 0 GAADLO Cn1ccc(S(=O)(=O)N2CC3(C2)CN(Cc2c[nH+]cn2C)C(=O)CO3)n1 ZINC001279207610 1074267612 /nfs/dbraw/zinc/26/76/12/1074267612.db2.gz KMEHQXGYTFWCTN-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO Cn1ccc(S(=O)(=O)N2CC3(C2)COCC(=O)N3Cc2c[nH+]cn2C)n1 ZINC001279207977 1074268937 /nfs/dbraw/zinc/26/89/37/1074268937.db2.gz UZNHGTKASSNYFC-UHFFFAOYSA-N 1 2 380.430 -1.044 20 0 GAADLO CN(C)S(=O)(=O)N1CCC12C[NH+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001279239176 1074274573 /nfs/dbraw/zinc/27/45/73/1074274573.db2.gz IUMFIHKUSSEUAT-FRRDWIJNSA-N 1 2 379.479 -1.574 20 0 GAADLO CN(C)S(=O)(=O)N1CC2(C1)C[NH+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001279239661 1074274496 /nfs/dbraw/zinc/27/44/96/1074274496.db2.gz ODXVKODASCWFMY-FRRDWIJNSA-N 1 2 379.479 -1.716 20 0 GAADLO Cn1cnc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N3CC[NH+]2CCOCC2)c1 ZINC001279245378 1074274565 /nfs/dbraw/zinc/27/45/65/1074274565.db2.gz AKFSDHPMVRJDFL-GASCZTMLSA-N 1 2 385.490 -1.174 20 0 GAADLO Cn1cnc(S(=O)(=O)N2C[C@H]3CN(CC[NH+]4CCOCC4)C[C@@H](C2)O3)c1 ZINC001279245693 1074274553 /nfs/dbraw/zinc/27/45/53/1074274553.db2.gz FRHTVBGIOQQMAJ-GASCZTMLSA-N 1 2 385.490 -1.174 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CCO[C@H]3CN(CC[NH+]4CCOCC4)C[C@H]32)c1 ZINC001279246213 1074274596 /nfs/dbraw/zinc/27/45/96/1074274596.db2.gz MHKPHMUASIXMAN-CABCVRRESA-N 1 2 385.490 -1.174 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@@H+](CCN4CCOCC4)C[C@H]32)c1 ZINC001279246213 1074274592 /nfs/dbraw/zinc/27/45/92/1074274592.db2.gz MHKPHMUASIXMAN-CABCVRRESA-N 1 2 385.490 -1.174 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@H+](CCN4CCOCC4)C[C@H]32)c1 ZINC001279246213 1074274588 /nfs/dbraw/zinc/27/45/88/1074274588.db2.gz MHKPHMUASIXMAN-CABCVRRESA-N 1 2 385.490 -1.174 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CCO[C@H]3CN(CC[NH+]4CCOCC4)C[C@@H]32)c1 ZINC001279246217 1074274611 /nfs/dbraw/zinc/27/46/11/1074274611.db2.gz MHKPHMUASIXMAN-GJZGRUSLSA-N 1 2 385.490 -1.174 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@@H+](CCN4CCOCC4)C[C@@H]32)c1 ZINC001279246217 1074274607 /nfs/dbraw/zinc/27/46/07/1074274607.db2.gz MHKPHMUASIXMAN-GJZGRUSLSA-N 1 2 385.490 -1.174 20 0 GAADLO Cn1cnc(S(=O)(=O)N2CCO[C@H]3C[N@H+](CCN4CCOCC4)C[C@@H]32)c1 ZINC001279246217 1074274602 /nfs/dbraw/zinc/27/46/02/1074274602.db2.gz MHKPHMUASIXMAN-GJZGRUSLSA-N 1 2 385.490 -1.174 20 0 GAADLO CS(=O)(=O)CS(=O)(=O)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001279251728 1074276194 /nfs/dbraw/zinc/27/61/94/1074276194.db2.gz KEBKXUNMQCVRIR-UHFFFAOYSA-N 1 2 392.459 -1.872 20 0 GAADLO Cn1c[nH+]cc1CN1C(=O)COCC12CN(S(=O)(=O)CS(C)(=O)=O)C2 ZINC001279252228 1074277366 /nfs/dbraw/zinc/27/73/66/1074277366.db2.gz XVARRVRAJXHDLC-UHFFFAOYSA-N 1 2 392.459 -1.835 20 0 GAADLO Cn1c[nH+]cc1CN1CC2(CN(S(=O)(=O)CS(C)(=O)=O)C2)OCC1=O ZINC001279252290 1073941806 /nfs/dbraw/zinc/94/18/06/1073941806.db2.gz YKNOUKPERBJOAM-UHFFFAOYSA-N 1 2 392.459 -1.835 20 0 GAADLO CS(=O)(=O)CS(=O)(=O)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001279252346 1074277284 /nfs/dbraw/zinc/27/72/84/1074277284.db2.gz ZMQPUTLSVDMURJ-UHFFFAOYSA-N 1 2 392.459 -1.872 20 0 GAADLO O=C([C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CCC2(C[NH+](Cc3cncs3)C2)C1 ZINC001279285490 1074278114 /nfs/dbraw/zinc/27/81/14/1074278114.db2.gz BCCDJMIHWGTIMX-IHWVXMPCSA-N 1 2 385.442 -2.023 20 0 GAADLO O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CCC2(C[NH+](Cc3cncs3)C2)C1 ZINC001279285494 1074277964 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1074394234 /nfs/dbraw/zinc/39/42/34/1074394234.db2.gz FNNFOHWTXNSNGM-UHFFFAOYSA-N 1 2 386.478 -1.409 20 0 GAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001318337308 1074396571 /nfs/dbraw/zinc/39/65/71/1074396571.db2.gz ZPUYBUWYOOOZON-GFCCVEGCSA-N 1 2 377.449 -1.814 20 0 GAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001318337315 1074396521 /nfs/dbraw/zinc/39/65/21/1074396521.db2.gz ZPUYBUWYOOOZON-LBPRGKRZSA-N 1 2 377.449 -1.814 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC001318350051 1074396615 /nfs/dbraw/zinc/39/66/15/1074396615.db2.gz GFIBLEYEBBETRM-UHFFFAOYSA-N 1 2 396.535 -1.124 20 0 GAADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001318409039 1074397856 /nfs/dbraw/zinc/39/78/56/1074397856.db2.gz GRURCPTYLYYQHO-GFCCVEGCSA-N 1 2 377.449 -1.814 20 0 GAADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC001318409039 1074397849 /nfs/dbraw/zinc/39/78/49/1074397849.db2.gz 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2 381.437 -1.470 20 0 GAADLO COC(=O)Cn1ncc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC001321090706 1074470076 /nfs/dbraw/zinc/47/00/76/1074470076.db2.gz ZVALPQFGZXEQIQ-CYBMUJFWSA-N 1 2 397.432 -1.545 20 0 GAADLO COC(=O)Cn1ncc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC001321090709 1074470081 /nfs/dbraw/zinc/47/00/81/1074470081.db2.gz ZVALPQFGZXEQIQ-ZDUSSCGKSA-N 1 2 397.432 -1.545 20 0 GAADLO O=C(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)NCC(F)F ZINC001321096654 1074470105 /nfs/dbraw/zinc/47/01/05/1074470105.db2.gz HCHKOGKITOSNQD-UHFFFAOYSA-N 1 2 388.375 -1.349 20 0 GAADLO C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001321188887 1074471157 /nfs/dbraw/zinc/47/11/57/1074471157.db2.gz CFGACDMMPQIUKD-GXTWGEPZSA-N 1 2 378.433 -1.205 20 0 GAADLO C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001321188888 1074471145 /nfs/dbraw/zinc/47/11/45/1074471145.db2.gz CFGACDMMPQIUKD-JSGCOSHPSA-N 1 2 378.433 -1.205 20 0 GAADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001321188889 1074471063 /nfs/dbraw/zinc/47/10/63/1074471063.db2.gz CFGACDMMPQIUKD-OCCSQVGLSA-N 1 2 378.433 -1.205 20 0 GAADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001321188891 1074471136 /nfs/dbraw/zinc/47/11/36/1074471136.db2.gz CFGACDMMPQIUKD-TZMCWYRMSA-N 1 2 378.433 -1.205 20 0 GAADLO CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCNC1=O ZINC001321190399 1074471122 /nfs/dbraw/zinc/47/11/22/1074471122.db2.gz RHYUGZKOIQIJFD-AWEZNQCLSA-N 1 2 378.433 -1.109 20 0 GAADLO CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCNC1=O ZINC001321190401 1074471151 /nfs/dbraw/zinc/47/11/51/1074471151.db2.gz RHYUGZKOIQIJFD-CQSZACIVSA-N 1 2 378.433 -1.109 20 0 GAADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC001321208225 1074472062 /nfs/dbraw/zinc/47/20/62/1074472062.db2.gz HHQPYWFYRHQNQY-UHFFFAOYSA-N 1 2 391.428 -1.763 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001321313117 1074473801 /nfs/dbraw/zinc/47/38/01/1074473801.db2.gz AZJFJFSIHFLPJY-UHFFFAOYSA-N 1 2 378.433 -1.415 20 0 GAADLO CC(C)[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001321409623 1074477407 /nfs/dbraw/zinc/47/74/07/1074477407.db2.gz LCKRKLILDLQUFI-AWEZNQCLSA-N 1 2 390.506 -1.533 20 0 GAADLO CC(C)[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001321409624 1074477392 /nfs/dbraw/zinc/47/73/92/1074477392.db2.gz LCKRKLILDLQUFI-CQSZACIVSA-N 1 2 390.506 -1.533 20 0 GAADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001321410839 1074477469 /nfs/dbraw/zinc/47/74/69/1074477469.db2.gz VAWOCAQYZQTTFQ-INIZCTEOSA-N 1 2 397.520 -1.308 20 0 GAADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC001321410840 1074477453 /nfs/dbraw/zinc/47/74/53/1074477453.db2.gz VAWOCAQYZQTTFQ-MRXNPFEDSA-N 1 2 397.520 -1.308 20 0 GAADLO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001321410974 1074477439 /nfs/dbraw/zinc/47/74/39/1074477439.db2.gz WQVZOAJLAIFDFK-KBPBESRZSA-N 1 2 390.506 -1.391 20 0 GAADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001321410975 1074477985 /nfs/dbraw/zinc/47/79/85/1074477985.db2.gz WQVZOAJLAIFDFK-KGLIPLIRSA-N 1 2 390.506 -1.391 20 0 GAADLO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001321410976 1074477874 /nfs/dbraw/zinc/47/78/74/1074477874.db2.gz WQVZOAJLAIFDFK-UONOGXRCSA-N 1 2 390.506 -1.391 20 0 GAADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001321410977 1074477852 /nfs/dbraw/zinc/47/78/52/1074477852.db2.gz WQVZOAJLAIFDFK-ZIAGYGMSSA-N 1 2 390.506 -1.391 20 0 GAADLO CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001321420753 1074477946 /nfs/dbraw/zinc/47/79/46/1074477946.db2.gz SYPTUQLZNAEMRN-UHFFFAOYSA-N 1 2 398.485 -1.200 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC001321422304 1074478409 /nfs/dbraw/zinc/47/84/09/1074478409.db2.gz BZMWGCXJUUHMFY-AWEZNQCLSA-N 1 2 394.476 -1.228 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC001321422305 1074478394 /nfs/dbraw/zinc/47/83/94/1074478394.db2.gz BZMWGCXJUUHMFY-CQSZACIVSA-N 1 2 394.476 -1.228 20 0 GAADLO CON(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001321537809 1074483393 /nfs/dbraw/zinc/48/33/93/1074483393.db2.gz XTTFPTIGUBZBDH-UHFFFAOYSA-N 1 2 385.446 -1.331 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001321568876 1074485028 /nfs/dbraw/zinc/48/50/28/1074485028.db2.gz YURZBDKRDKTBKC-UHFFFAOYSA-N 1 2 376.479 -1.683 20 0 GAADLO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001321643406 1074488825 /nfs/dbraw/zinc/48/88/25/1074488825.db2.gz RGLHUNCRGZEZBB-CYBMUJFWSA-N 1 2 378.495 -1.533 20 0 GAADLO CC(C)[C@H](CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001321643407 1074488701 /nfs/dbraw/zinc/48/87/01/1074488701.db2.gz RGLHUNCRGZEZBB-ZDUSSCGKSA-N 1 2 378.495 -1.533 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC001321672424 1074491644 /nfs/dbraw/zinc/49/16/44/1074491644.db2.gz NFJLGBAPDQDYQG-AWEZNQCLSA-N 1 2 389.416 -1.248 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC001321672425 1074491659 /nfs/dbraw/zinc/49/16/59/1074491659.db2.gz NFJLGBAPDQDYQG-CQSZACIVSA-N 1 2 389.416 -1.248 20 0 GAADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN2C(=O)N=NC2C1 ZINC001321672894 1074491752 /nfs/dbraw/zinc/49/17/52/1074491752.db2.gz UFHGEXMBXGKYOK-UHFFFAOYSA-N 1 2 390.404 -1.507 20 0 GAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001321688996 1074492726 /nfs/dbraw/zinc/49/27/26/1074492726.db2.gz GUMXKZRNSFUTEQ-GFCCVEGCSA-N 1 2 380.430 -1.123 20 0 GAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC001321688999 1074492802 /nfs/dbraw/zinc/49/28/02/1074492802.db2.gz GUMXKZRNSFUTEQ-LBPRGKRZSA-N 1 2 380.430 -1.123 20 0 GAADLO CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001321704919 1074493758 /nfs/dbraw/zinc/49/37/58/1074493758.db2.gz CVDCUNKNJZWAFC-AWEZNQCLSA-N 1 2 399.473 -1.201 20 0 GAADLO CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001321704920 1074493680 /nfs/dbraw/zinc/49/36/80/1074493680.db2.gz CVDCUNKNJZWAFC-CQSZACIVSA-N 1 2 399.473 -1.201 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCS(C)(=O)=O)[C@H](C)C1 ZINC001321722819 1074495128 /nfs/dbraw/zinc/49/51/28/1074495128.db2.gz WGEKQVVABZPBCH-GFCCVEGCSA-N 1 2 377.463 -1.367 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCS(C)(=O)=O)[C@H](C)C1 ZINC001321722819 1074495122 /nfs/dbraw/zinc/49/51/22/1074495122.db2.gz WGEKQVVABZPBCH-GFCCVEGCSA-N 1 2 377.463 -1.367 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCS(C)(=O)=O)[C@@H](C)C1 ZINC001321722822 1074495019 /nfs/dbraw/zinc/49/50/19/1074495019.db2.gz WGEKQVVABZPBCH-LBPRGKRZSA-N 1 2 377.463 -1.367 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCS(C)(=O)=O)[C@@H](C)C1 ZINC001321722822 1074495014 /nfs/dbraw/zinc/49/50/14/1074495014.db2.gz WGEKQVVABZPBCH-LBPRGKRZSA-N 1 2 377.463 -1.367 20 0 GAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001321754114 1074496999 /nfs/dbraw/zinc/49/69/99/1074496999.db2.gz YSDCBDORBJSCDL-CYBMUJFWSA-N 1 2 398.489 -1.993 20 0 GAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001321754115 1074496917 /nfs/dbraw/zinc/49/69/17/1074496917.db2.gz YSDCBDORBJSCDL-ZDUSSCGKSA-N 1 2 398.489 -1.993 20 0 GAADLO Cn1nnc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC001321764051 1074498282 /nfs/dbraw/zinc/49/82/82/1074498282.db2.gz KSMXCQRQJBALSZ-UHFFFAOYSA-N 1 2 390.423 -1.096 20 0 GAADLO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cn1C ZINC001321772093 1074498258 /nfs/dbraw/zinc/49/82/58/1074498258.db2.gz GCIGJRTZQLCFAK-GFCCVEGCSA-N 1 2 386.478 -1.537 20 0 GAADLO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cn1C ZINC001321772093 1074498254 /nfs/dbraw/zinc/49/82/54/1074498254.db2.gz GCIGJRTZQLCFAK-GFCCVEGCSA-N 1 2 386.478 -1.537 20 0 GAADLO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cn1C ZINC001321772095 1074498301 /nfs/dbraw/zinc/49/83/01/1074498301.db2.gz GCIGJRTZQLCFAK-LBPRGKRZSA-N 1 2 386.478 -1.537 20 0 GAADLO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cn1C ZINC001321772095 1074498296 /nfs/dbraw/zinc/49/82/96/1074498296.db2.gz GCIGJRTZQLCFAK-LBPRGKRZSA-N 1 2 386.478 -1.537 20 0 GAADLO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001321775480 1074498316 /nfs/dbraw/zinc/49/83/16/1074498316.db2.gz OHIMCWMOOIOFIU-AWEZNQCLSA-N 1 2 383.493 -1.603 20 0 GAADLO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001321775482 1074498766 /nfs/dbraw/zinc/49/87/66/1074498766.db2.gz OHIMCWMOOIOFIU-CQSZACIVSA-N 1 2 383.493 -1.603 20 0 GAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC001321781881 1074498751 /nfs/dbraw/zinc/49/87/51/1074498751.db2.gz LFLZYQJVGJDOJN-MRVPVSSYSA-N 1 2 388.222 -1.223 20 0 GAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC001321781881 1074498746 /nfs/dbraw/zinc/49/87/46/1074498746.db2.gz LFLZYQJVGJDOJN-MRVPVSSYSA-N 1 2 388.222 -1.223 20 0 GAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC001321781891 1074498850 /nfs/dbraw/zinc/49/88/50/1074498850.db2.gz LFLZYQJVGJDOJN-QMMMGPOBSA-N 1 2 388.222 -1.223 20 0 GAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC001321781891 1074498847 /nfs/dbraw/zinc/49/88/47/1074498847.db2.gz LFLZYQJVGJDOJN-QMMMGPOBSA-N 1 2 388.222 -1.223 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCS(C)(=O)=O)CC1 ZINC001321791228 1074498658 /nfs/dbraw/zinc/49/86/58/1074498658.db2.gz LXKTUDGJGGXXCC-UHFFFAOYSA-N 1 2 395.445 -1.827 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001321796361 1074499129 /nfs/dbraw/zinc/49/91/29/1074499129.db2.gz DLXMGXPQYOMCEP-UHFFFAOYSA-N 1 2 390.506 -1.293 20 0 GAADLO CNC(=O)CCCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001321899875 1074504495 /nfs/dbraw/zinc/50/44/95/1074504495.db2.gz MJCJPAIKIZEELO-UHFFFAOYSA-N 1 2 388.432 -1.346 20 0 GAADLO CS(=O)(=O)NCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001321922288 1074505390 /nfs/dbraw/zinc/50/53/90/1074505390.db2.gz UYWWXOVQUMSXEK-UHFFFAOYSA-N 1 2 398.485 -1.200 20 0 GAADLO CCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001321932465 1074506279 /nfs/dbraw/zinc/50/62/79/1074506279.db2.gz NMPFSFNYLRMEMK-AWEZNQCLSA-N 1 2 389.522 -1.072 20 0 GAADLO CCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001321932467 1074506254 /nfs/dbraw/zinc/50/62/54/1074506254.db2.gz NMPFSFNYLRMEMK-CQSZACIVSA-N 1 2 389.522 -1.072 20 0 GAADLO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001321974955 1074509099 /nfs/dbraw/zinc/50/90/99/1074509099.db2.gz JSBCEHMELUDGQE-UHFFFAOYSA-N 1 2 392.522 -1.000 20 0 GAADLO CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001321974955 1074509093 /nfs/dbraw/zinc/50/90/93/1074509093.db2.gz JSBCEHMELUDGQE-UHFFFAOYSA-N 1 2 392.522 -1.000 20 0 GAADLO CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCOCC1 ZINC001321984722 1074509590 /nfs/dbraw/zinc/50/95/90/1074509590.db2.gz SODOTCRKOWTZNU-CYBMUJFWSA-N 1 2 392.522 -1.097 20 0 GAADLO CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCOCC1 ZINC001321984723 1074509563 /nfs/dbraw/zinc/50/95/63/1074509563.db2.gz SODOTCRKOWTZNU-ZDUSSCGKSA-N 1 2 392.522 -1.097 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNC(=O)c1cccs1 ZINC001322000526 1074511503 /nfs/dbraw/zinc/51/15/03/1074511503.db2.gz GEJKWBLMAPEUQH-CYBMUJFWSA-N 1 2 398.485 -1.254 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNC(=O)c1cccs1 ZINC001322000527 1074511362 /nfs/dbraw/zinc/51/13/62/1074511362.db2.gz GEJKWBLMAPEUQH-ZDUSSCGKSA-N 1 2 398.485 -1.254 20 0 GAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC001322007561 1074512401 /nfs/dbraw/zinc/51/24/01/1074512401.db2.gz BOOOMGOFEGBLIE-UHFFFAOYSA-N 1 2 375.495 -1.428 20 0 GAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC001322007561 1074512398 /nfs/dbraw/zinc/51/23/98/1074512398.db2.gz BOOOMGOFEGBLIE-UHFFFAOYSA-N 1 2 375.495 -1.428 20 0 GAADLO O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001322007845 1074512829 /nfs/dbraw/zinc/51/28/29/1074512829.db2.gz TWLHACKXFZIFPE-AWEZNQCLSA-N 1 2 399.473 -1.175 20 0 GAADLO O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001322007846 1074512806 /nfs/dbraw/zinc/51/28/06/1074512806.db2.gz TWLHACKXFZIFPE-CQSZACIVSA-N 1 2 399.473 -1.175 20 0 GAADLO O=C(NCCS(=O)(=O)N1CCOCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001322008292 1074512794 /nfs/dbraw/zinc/51/27/94/1074512794.db2.gz XZBWBDJEIFXJGS-UHFFFAOYSA-N 1 2 395.441 -1.271 20 0 GAADLO Cc1nc(N2CCN(C(=O)C(=O)NCCS(=O)(=O)NC(C)C)CC2)cc[nH+]1 ZINC001322033422 1074513697 /nfs/dbraw/zinc/51/36/97/1074513697.db2.gz KZGRUAOAWAFDNQ-UHFFFAOYSA-N 1 2 398.489 -1.122 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001322100446 1074517341 /nfs/dbraw/zinc/51/73/41/1074517341.db2.gz QTNWRMHHDUWVTL-CYBMUJFWSA-N 1 2 376.479 -1.683 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC001322100448 1074517310 /nfs/dbraw/zinc/51/73/10/1074517310.db2.gz QTNWRMHHDUWVTL-ZDUSSCGKSA-N 1 2 376.479 -1.683 20 0 GAADLO CNS(=O)(=O)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001322117266 1074518842 /nfs/dbraw/zinc/51/88/42/1074518842.db2.gz ANTLHCOIYUEEMF-UHFFFAOYSA-N 1 2 397.501 -1.410 20 0 GAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cn2cnnn2)CC3)CC1 ZINC001322133077 1074518801 /nfs/dbraw/zinc/51/88/01/1074518801.db2.gz LWJLHGUFUDAQEK-CYBMUJFWSA-N 1 2 387.448 -1.364 20 0 GAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cn2cnnn2)CC3)CC1 ZINC001322133078 1074519396 /nfs/dbraw/zinc/51/93/96/1074519396.db2.gz LWJLHGUFUDAQEK-ZDUSSCGKSA-N 1 2 387.448 -1.364 20 0 GAADLO CNC(=O)NCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001322134494 1074519254 /nfs/dbraw/zinc/51/92/54/1074519254.db2.gz VHVYTUSDFNGXAG-CYBMUJFWSA-N 1 2 391.476 -1.122 20 0 GAADLO CNC(=O)NCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001322134495 1074519301 /nfs/dbraw/zinc/51/93/01/1074519301.db2.gz VHVYTUSDFNGXAG-ZDUSSCGKSA-N 1 2 391.476 -1.122 20 0 GAADLO CNC(=O)Cc1noc(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001322174244 1074520974 /nfs/dbraw/zinc/52/09/74/1074520974.db2.gz JJIGIFOEALXTCS-GFCCVEGCSA-N 1 2 395.416 -1.418 20 0 GAADLO CNC(=O)Cc1noc(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001322174245 1074520942 /nfs/dbraw/zinc/52/09/42/1074520942.db2.gz JJIGIFOEALXTCS-LBPRGKRZSA-N 1 2 395.416 -1.418 20 0 GAADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001322184567 1074521422 /nfs/dbraw/zinc/52/14/22/1074521422.db2.gz VWARSTAYAZCNQU-UHFFFAOYSA-N 1 2 399.473 -1.222 20 0 GAADLO CC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)C(N)=O ZINC001322224682 1074522726 /nfs/dbraw/zinc/52/27/26/1074522726.db2.gz GBBRKFUUSJLBDS-HNNXBMFYSA-N 1 2 375.429 -1.190 20 0 GAADLO C[C@H]1C[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001322254500 1074524720 /nfs/dbraw/zinc/52/47/20/1074524720.db2.gz XVYAOIISMHMZCV-KBPBESRZSA-N 1 2 387.506 -1.605 20 0 GAADLO C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001322254501 1074524568 /nfs/dbraw/zinc/52/45/68/1074524568.db2.gz XVYAOIISMHMZCV-KGLIPLIRSA-N 1 2 387.506 -1.605 20 0 GAADLO C[C@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001322254502 1074524793 /nfs/dbraw/zinc/52/47/93/1074524793.db2.gz XVYAOIISMHMZCV-UONOGXRCSA-N 1 2 387.506 -1.605 20 0 GAADLO C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001322254503 1074524705 /nfs/dbraw/zinc/52/47/05/1074524705.db2.gz XVYAOIISMHMZCV-ZIAGYGMSSA-N 1 2 387.506 -1.605 20 0 GAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001322441107 1074528560 /nfs/dbraw/zinc/52/85/60/1074528560.db2.gz UIWXYXDRXDKTPS-HZSPNIEDSA-N 1 2 388.490 -1.206 20 0 GAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001322441110 1074528443 /nfs/dbraw/zinc/52/84/43/1074528443.db2.gz UIWXYXDRXDKTPS-MCIONIFRSA-N 1 2 388.490 -1.206 20 0 GAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001322441113 1074528433 /nfs/dbraw/zinc/52/84/33/1074528433.db2.gz UIWXYXDRXDKTPS-MGPQQGTHSA-N 1 2 388.490 -1.206 20 0 GAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001322441115 1074528382 /nfs/dbraw/zinc/52/83/82/1074528382.db2.gz UIWXYXDRXDKTPS-RDBSUJKOSA-N 1 2 388.490 -1.206 20 0 GAADLO NS(=O)(=O)c1cnn(CC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001322566008 1074533537 /nfs/dbraw/zinc/53/35/37/1074533537.db2.gz WFBUWUXXVMDZSN-UHFFFAOYSA-N 1 2 398.489 -1.313 20 0 GAADLO NS(=O)(=O)c1cnn(CC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001322566008 1074533528 /nfs/dbraw/zinc/53/35/28/1074533528.db2.gz WFBUWUXXVMDZSN-UHFFFAOYSA-N 1 2 398.489 -1.313 20 0 GAADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cn1 ZINC001322587697 1074535461 /nfs/dbraw/zinc/53/54/61/1074535461.db2.gz HQMSXJWFKWVIDJ-GFCCVEGCSA-N 1 2 377.405 -1.014 20 0 GAADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cn1 ZINC001322587698 1074535338 /nfs/dbraw/zinc/53/53/38/1074535338.db2.gz HQMSXJWFKWVIDJ-LBPRGKRZSA-N 1 2 377.405 -1.014 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@H](C)C1 ZINC001322597392 1074536253 /nfs/dbraw/zinc/53/62/53/1074536253.db2.gz SYWDKOAVBOADLY-LLVKDONJSA-N 1 2 378.451 -2.252 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@H](C)C1 ZINC001322597392 1074536243 /nfs/dbraw/zinc/53/62/43/1074536243.db2.gz SYWDKOAVBOADLY-LLVKDONJSA-N 1 2 378.451 -2.252 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@@H](C)C1 ZINC001322597393 1074536166 /nfs/dbraw/zinc/53/61/66/1074536166.db2.gz SYWDKOAVBOADLY-NSHDSACASA-N 1 2 378.451 -2.252 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@@H](C)C1 ZINC001322597393 1074536157 /nfs/dbraw/zinc/53/61/57/1074536157.db2.gz SYWDKOAVBOADLY-NSHDSACASA-N 1 2 378.451 -2.252 20 0 GAADLO C[C@]1(O)CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001322604960 1074537124 /nfs/dbraw/zinc/53/71/24/1074537124.db2.gz IUUCFKYIMIUTSE-INIZCTEOSA-N 1 2 375.491 -1.015 20 0 GAADLO C[C@@]1(O)CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001322604962 1074537061 /nfs/dbraw/zinc/53/70/61/1074537061.db2.gz IUUCFKYIMIUTSE-MRXNPFEDSA-N 1 2 375.491 -1.015 20 0 GAADLO C[C@@]1(CO)CCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001322604971 1074537039 /nfs/dbraw/zinc/53/70/39/1074537039.db2.gz IYBDAKBOSXARRB-INIZCTEOSA-N 1 2 375.491 -1.015 20 0 GAADLO C[C@]1(CO)CCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001322604972 1074537201 /nfs/dbraw/zinc/53/72/01/1074537201.db2.gz IYBDAKBOSXARRB-MRXNPFEDSA-N 1 2 375.491 -1.015 20 0 GAADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC001322614224 1074539277 /nfs/dbraw/zinc/53/92/77/1074539277.db2.gz OFQJAWYJONWKCN-UHFFFAOYSA-N 1 2 398.485 -1.079 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001322645974 1074541675 /nfs/dbraw/zinc/54/16/75/1074541675.db2.gz QXDOXCRGBUBNHU-GFCCVEGCSA-N 1 2 380.467 -2.807 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001322645976 1074541704 /nfs/dbraw/zinc/54/17/04/1074541704.db2.gz QXDOXCRGBUBNHU-LBPRGKRZSA-N 1 2 380.467 -2.807 20 0 GAADLO O=C(CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCOCC1 ZINC001322653678 1074541563 /nfs/dbraw/zinc/54/15/63/1074541563.db2.gz LMBHCCWRCBWOAC-CABCVRRESA-N 1 2 382.461 -1.279 20 0 GAADLO O=C(CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCOCC1 ZINC001322653679 1074541661 /nfs/dbraw/zinc/54/16/61/1074541661.db2.gz LMBHCCWRCBWOAC-GJZGRUSLSA-N 1 2 382.461 -1.279 20 0 GAADLO O=C(CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCOCC1 ZINC001322653680 1074541909 /nfs/dbraw/zinc/54/19/09/1074541909.db2.gz LMBHCCWRCBWOAC-HUUCEWRRSA-N 1 2 382.461 -1.279 20 0 GAADLO O=C(CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCOCC1 ZINC001322653681 1074542113 /nfs/dbraw/zinc/54/21/13/1074542113.db2.gz LMBHCCWRCBWOAC-LSDHHAIUSA-N 1 2 382.461 -1.279 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CC1 ZINC001322658913 1074542587 /nfs/dbraw/zinc/54/25/87/1074542587.db2.gz NVHRUVJUEQJFLJ-GFCCVEGCSA-N 1 2 397.444 -1.160 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)CC1 ZINC001322658915 1074542495 /nfs/dbraw/zinc/54/24/95/1074542495.db2.gz NVHRUVJUEQJFLJ-LBPRGKRZSA-N 1 2 397.444 -1.160 20 0 GAADLO Cc1n[nH]c(=O)c(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC001322662136 1074542459 /nfs/dbraw/zinc/54/24/59/1074542459.db2.gz KSZKHURMEXZLDK-CYBMUJFWSA-N 1 2 381.433 -1.433 20 0 GAADLO Cc1n[nH]c(=O)c(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC001322662137 1074542533 /nfs/dbraw/zinc/54/25/33/1074542533.db2.gz KSZKHURMEXZLDK-ZDUSSCGKSA-N 1 2 381.433 -1.433 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001322716705 1074545733 /nfs/dbraw/zinc/54/57/33/1074545733.db2.gz JZUZMJAQARCVOT-CHWSQXEVSA-N 1 2 377.463 -2.169 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001322716706 1074545796 /nfs/dbraw/zinc/54/57/96/1074545796.db2.gz JZUZMJAQARCVOT-OLZOCXBDSA-N 1 2 377.463 -2.169 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001322716707 1074545770 /nfs/dbraw/zinc/54/57/70/1074545770.db2.gz JZUZMJAQARCVOT-QWHCGFSZSA-N 1 2 377.463 -2.169 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001322716708 1074546216 /nfs/dbraw/zinc/54/62/16/1074546216.db2.gz JZUZMJAQARCVOT-STQMWFEESA-N 1 2 377.463 -2.169 20 0 GAADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCN1C(=O)CNC1=O ZINC001322726886 1074547216 /nfs/dbraw/zinc/54/72/16/1074547216.db2.gz DPUWHFQAPBXDOR-UHFFFAOYSA-N 1 2 390.400 -1.167 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001322734111 1074547624 /nfs/dbraw/zinc/54/76/24/1074547624.db2.gz PFOBPNDYHIRWHP-KBPBESRZSA-N 1 2 390.506 -1.199 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001322734112 1074547550 /nfs/dbraw/zinc/54/75/50/1074547550.db2.gz PFOBPNDYHIRWHP-KGLIPLIRSA-N 1 2 390.506 -1.199 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001322734114 1074547566 /nfs/dbraw/zinc/54/75/66/1074547566.db2.gz PFOBPNDYHIRWHP-UONOGXRCSA-N 1 2 390.506 -1.199 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001322734116 1074547509 /nfs/dbraw/zinc/54/75/09/1074547509.db2.gz PFOBPNDYHIRWHP-ZIAGYGMSSA-N 1 2 390.506 -1.199 20 0 GAADLO O=C(NCCCN1C(=O)CNC1=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001322734214 1074547594 /nfs/dbraw/zinc/54/75/94/1074547594.db2.gz QQLRPGSZGUNNRR-KBPBESRZSA-N 1 2 395.460 -1.196 20 0 GAADLO O=C(NCCCN1C(=O)CNC1=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001322734221 1074547453 /nfs/dbraw/zinc/54/74/53/1074547453.db2.gz QQLRPGSZGUNNRR-KGLIPLIRSA-N 1 2 395.460 -1.196 20 0 GAADLO O=C(NCCCN1C(=O)CNC1=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001322734223 1074548258 /nfs/dbraw/zinc/54/82/58/1074548258.db2.gz QQLRPGSZGUNNRR-UONOGXRCSA-N 1 2 395.460 -1.196 20 0 GAADLO O=C(NCCCN1C(=O)CNC1=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001322734226 1074548005 /nfs/dbraw/zinc/54/80/05/1074548005.db2.gz QQLRPGSZGUNNRR-ZIAGYGMSSA-N 1 2 395.460 -1.196 20 0 GAADLO O=C(NCCCN1C(=O)CNC1=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001322829977 1074555739 /nfs/dbraw/zinc/55/57/39/1074555739.db2.gz LAGURSQMSZWBNC-UHFFFAOYSA-N 1 2 376.417 -1.064 20 0 GAADLO CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001322834947 1074556124 /nfs/dbraw/zinc/55/61/24/1074556124.db2.gz DEOHURAUQWMOAK-UHFFFAOYSA-N 1 2 378.433 -1.414 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC001322835847 1074556190 /nfs/dbraw/zinc/55/61/90/1074556190.db2.gz MLFFJHQNAOUMTL-BETUJISGSA-N 1 2 383.449 -1.388 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCCN2C(=O)CNC2=O)C[C@H](C)O1 ZINC001322835847 1074556181 /nfs/dbraw/zinc/55/61/81/1074556181.db2.gz MLFFJHQNAOUMTL-BETUJISGSA-N 1 2 383.449 -1.388 20 0 GAADLO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC001322854090 1074557605 /nfs/dbraw/zinc/55/76/05/1074557605.db2.gz IBHZWFDTFCMGTB-HNNXBMFYSA-N 1 2 383.493 -1.508 20 0 GAADLO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC001322854090 1074557596 /nfs/dbraw/zinc/55/75/96/1074557596.db2.gz IBHZWFDTFCMGTB-HNNXBMFYSA-N 1 2 383.493 -1.508 20 0 GAADLO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC001322854093 1074557530 /nfs/dbraw/zinc/55/75/30/1074557530.db2.gz IBHZWFDTFCMGTB-OAHLLOKOSA-N 1 2 383.493 -1.508 20 0 GAADLO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC001322854093 1074557524 /nfs/dbraw/zinc/55/75/24/1074557524.db2.gz IBHZWFDTFCMGTB-OAHLLOKOSA-N 1 2 383.493 -1.508 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)CC1 ZINC001322860864 1074557773 /nfs/dbraw/zinc/55/77/73/1074557773.db2.gz HMJMAHFSNIJPHW-KRWDZBQOSA-N 1 2 387.502 -1.015 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)CC1 ZINC001322860866 1074557744 /nfs/dbraw/zinc/55/77/44/1074557744.db2.gz HMJMAHFSNIJPHW-QGZVFWFLSA-N 1 2 387.502 -1.015 20 0 GAADLO CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)n1C ZINC001322865858 1074558007 /nfs/dbraw/zinc/55/80/07/1074558007.db2.gz CSHYSBRKMLMSKY-AWEZNQCLSA-N 1 2 382.465 -1.746 20 0 GAADLO CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)n1C ZINC001322865859 1074558163 /nfs/dbraw/zinc/55/81/63/1074558163.db2.gz CSHYSBRKMLMSKY-CQSZACIVSA-N 1 2 382.465 -1.746 20 0 GAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001322873846 1074558757 /nfs/dbraw/zinc/55/87/57/1074558757.db2.gz VYTYZEXWRURPIA-HNNXBMFYSA-N 1 2 398.485 -1.331 20 0 GAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001322873846 1074558751 /nfs/dbraw/zinc/55/87/51/1074558751.db2.gz VYTYZEXWRURPIA-HNNXBMFYSA-N 1 2 398.485 -1.331 20 0 GAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001322873847 1074558837 /nfs/dbraw/zinc/55/88/37/1074558837.db2.gz VYTYZEXWRURPIA-OAHLLOKOSA-N 1 2 398.485 -1.331 20 0 GAADLO CNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001322873847 1074558836 /nfs/dbraw/zinc/55/88/36/1074558836.db2.gz VYTYZEXWRURPIA-OAHLLOKOSA-N 1 2 398.485 -1.331 20 0 GAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC001322901583 1074559073 /nfs/dbraw/zinc/55/90/73/1074559073.db2.gz PPAXPFKBUFNRSN-UHFFFAOYSA-N 1 2 390.404 -2.512 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)O1 ZINC001322962018 1074562468 /nfs/dbraw/zinc/56/24/68/1074562468.db2.gz LOOAHYUGKDMKCN-BARDWOONSA-N 1 2 382.461 -1.105 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)O1 ZINC001322962020 1074562607 /nfs/dbraw/zinc/56/26/07/1074562607.db2.gz LOOAHYUGKDMKCN-KBXIAJHMSA-N 1 2 382.461 -1.105 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)O1 ZINC001322962023 1074562593 /nfs/dbraw/zinc/56/25/93/1074562593.db2.gz LOOAHYUGKDMKCN-QPSCCSFWSA-N 1 2 382.461 -1.105 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)O1 ZINC001322962026 1074562390 /nfs/dbraw/zinc/56/23/90/1074562390.db2.gz LOOAHYUGKDMKCN-TUVASFSCSA-N 1 2 382.461 -1.105 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001323007082 1074565054 /nfs/dbraw/zinc/56/50/54/1074565054.db2.gz DSGOWRKSRAYAOK-GFCCVEGCSA-N 1 2 382.417 -1.653 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001323007082 1074565047 /nfs/dbraw/zinc/56/50/47/1074565047.db2.gz DSGOWRKSRAYAOK-GFCCVEGCSA-N 1 2 382.417 -1.653 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC001323007084 1074565077 /nfs/dbraw/zinc/56/50/77/1074565077.db2.gz DSGOWRKSRAYAOK-LBPRGKRZSA-N 1 2 382.417 -1.653 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC001323007084 1074565072 /nfs/dbraw/zinc/56/50/72/1074565072.db2.gz DSGOWRKSRAYAOK-LBPRGKRZSA-N 1 2 382.417 -1.653 20 0 GAADLO CC(C)[C@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC001323008729 1074565572 /nfs/dbraw/zinc/56/55/72/1074565572.db2.gz ZHSYTLXECZGNKY-HNNXBMFYSA-N 1 2 384.477 -1.223 20 0 GAADLO CC(C)[C@@H](CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC001323008730 1074565544 /nfs/dbraw/zinc/56/55/44/1074565544.db2.gz ZHSYTLXECZGNKY-OAHLLOKOSA-N 1 2 384.477 -1.223 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001323013010 1074565909 /nfs/dbraw/zinc/56/59/09/1074565909.db2.gz JUKCGKGFTRBUGR-GDBMZVCRSA-N 1 2 394.476 -1.734 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001323013011 1074566069 /nfs/dbraw/zinc/56/60/69/1074566069.db2.gz JUKCGKGFTRBUGR-GOEBONIOSA-N 1 2 394.476 -1.734 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001323013012 1074566048 /nfs/dbraw/zinc/56/60/48/1074566048.db2.gz JUKCGKGFTRBUGR-HOCLYGCPSA-N 1 2 394.476 -1.734 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001323013013 1074565950 /nfs/dbraw/zinc/56/59/50/1074565950.db2.gz JUKCGKGFTRBUGR-ZBFHGGJFSA-N 1 2 394.476 -1.734 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC001323025128 1074566362 /nfs/dbraw/zinc/56/63/62/1074566362.db2.gz CUFHZIJFXXAINT-CYBMUJFWSA-N 1 2 393.506 -1.533 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC001323025174 1074566388 /nfs/dbraw/zinc/56/63/88/1074566388.db2.gz CUFHZIJFXXAINT-ZDUSSCGKSA-N 1 2 393.506 -1.533 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001323063373 1074567841 /nfs/dbraw/zinc/56/78/41/1074567841.db2.gz PKVGQISSBNREKL-CYBMUJFWSA-N 1 2 390.487 -1.376 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001323063450 1074567872 /nfs/dbraw/zinc/56/78/72/1074567872.db2.gz PKVGQISSBNREKL-ZDUSSCGKSA-N 1 2 390.487 -1.376 20 0 GAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC001323068522 1074568437 /nfs/dbraw/zinc/56/84/37/1074568437.db2.gz ZWFUEEBQAQCKMF-UHFFFAOYSA-N 1 2 376.479 -1.130 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC001323108662 1074570376 /nfs/dbraw/zinc/57/03/76/1074570376.db2.gz FCIIJBHKJUUDRP-HNNXBMFYSA-N 1 2 385.461 -1.060 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCC2(CC1)OCCO2 ZINC001323108663 1074570263 /nfs/dbraw/zinc/57/02/63/1074570263.db2.gz FCIIJBHKJUUDRP-OAHLLOKOSA-N 1 2 385.461 -1.060 20 0 GAADLO COC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001323202022 1074574105 /nfs/dbraw/zinc/57/41/05/1074574105.db2.gz ARENOEBWVHAEAN-CYBMUJFWSA-N 1 2 391.494 -2.226 20 0 GAADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCOCCS(C)(=O)=O ZINC001323216849 1074574919 /nfs/dbraw/zinc/57/49/19/1074574919.db2.gz HTHUYMAQDHEVST-UHFFFAOYSA-N 1 2 393.506 -1.267 20 0 GAADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCOCCS(C)(=O)=O ZINC001323216849 1074574913 /nfs/dbraw/zinc/57/49/13/1074574913.db2.gz 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CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001323889400 1074621546 /nfs/dbraw/zinc/62/15/46/1074621546.db2.gz VWCUYZWTPJMKSW-ZDUSSCGKSA-N 1 2 386.478 -1.005 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCOCCS(C)(=O)=O)C[C@H](C)O1 ZINC001323897326 1074622281 /nfs/dbraw/zinc/62/22/81/1074622281.db2.gz SAZUIHIEJOQZKS-OKILXGFUSA-N 1 2 393.506 -1.269 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCOCCS(C)(=O)=O)C[C@H](C)O1 ZINC001323897326 1074622277 /nfs/dbraw/zinc/62/22/77/1074622277.db2.gz SAZUIHIEJOQZKS-OKILXGFUSA-N 1 2 393.506 -1.269 20 0 GAADLO CCn1cccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1=O ZINC001323901428 1074622260 /nfs/dbraw/zinc/62/22/60/1074622260.db2.gz HPYJOAOZKVQHJY-HNNXBMFYSA-N 1 2 380.445 -1.364 20 0 GAADLO CCn1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1=O ZINC001323901429 1074622239 /nfs/dbraw/zinc/62/22/39/1074622239.db2.gz HPYJOAOZKVQHJY-OAHLLOKOSA-N 1 2 380.445 -1.364 20 0 GAADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC001323904983 1074622678 /nfs/dbraw/zinc/62/26/78/1074622678.db2.gz CDFDWNQQDNBBEU-UHFFFAOYSA-N 1 2 375.389 -1.177 20 0 GAADLO O=C(Cn1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)n1)N1CCOCC1 ZINC001323907569 1074622787 /nfs/dbraw/zinc/62/27/87/1074622787.db2.gz RSJXDAFBHJVWLF-UHFFFAOYSA-N 1 2 387.400 -1.081 20 0 GAADLO CC(=O)NCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001323952543 1074624592 /nfs/dbraw/zinc/62/45/92/1074624592.db2.gz GWGRNEMALVZGCS-UHFFFAOYSA-N 1 2 375.389 -1.309 20 0 GAADLO CN(C)S(=O)(=O)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001323975972 1074625045 /nfs/dbraw/zinc/62/50/45/1074625045.db2.gz YABISRPZQSPVBQ-UHFFFAOYSA-N 1 2 384.524 -1.314 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001323996464 1074627171 /nfs/dbraw/zinc/62/71/71/1074627171.db2.gz BAUAAIKIMVZDAA-GFCCVEGCSA-N 1 2 382.421 -2.593 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001323996465 1074627079 /nfs/dbraw/zinc/62/70/79/1074627079.db2.gz BAUAAIKIMVZDAA-LBPRGKRZSA-N 1 2 382.421 -2.593 20 0 GAADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC001323998049 1074627661 /nfs/dbraw/zinc/62/76/61/1074627661.db2.gz UASADILXHQPKMU-UHFFFAOYSA-N 1 2 380.449 -1.175 20 0 GAADLO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001324123556 1074633080 /nfs/dbraw/zinc/63/30/80/1074633080.db2.gz SVVHYZPHDJRCJN-UHFFFAOYSA-N 1 2 386.478 -1.005 20 0 GAADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(=O)n1C ZINC001324130720 1074633599 /nfs/dbraw/zinc/63/35/99/1074633599.db2.gz HBVMRAXBHCFLIN-HNNXBMFYSA-N 1 2 380.445 -1.539 20 0 GAADLO Cc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(=O)n1C ZINC001324130722 1074633619 /nfs/dbraw/zinc/63/36/19/1074633619.db2.gz HBVMRAXBHCFLIN-OAHLLOKOSA-N 1 2 380.445 -1.539 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001324172850 1074635016 /nfs/dbraw/zinc/63/50/16/1074635016.db2.gz FQDDDWYKHFBWLI-CYBMUJFWSA-N 1 2 391.490 -1.779 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC001324172851 1074635072 /nfs/dbraw/zinc/63/50/72/1074635072.db2.gz FQDDDWYKHFBWLI-ZDUSSCGKSA-N 1 2 391.490 -1.779 20 0 GAADLO CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001324180352 1074635412 /nfs/dbraw/zinc/63/54/12/1074635412.db2.gz GGNNSFRHBUUADG-ZIAGYGMSSA-N 1 2 387.506 -1.463 20 0 GAADLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255566 1074638794 /nfs/dbraw/zinc/63/87/94/1074638794.db2.gz OENJJZWETXSEEV-CHWSQXEVSA-N 1 2 381.520 -1.107 20 0 GAADLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255566 1074638792 /nfs/dbraw/zinc/63/87/92/1074638792.db2.gz OENJJZWETXSEEV-CHWSQXEVSA-N 1 2 381.520 -1.107 20 0 GAADLO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255568 1074638952 /nfs/dbraw/zinc/63/89/52/1074638952.db2.gz OENJJZWETXSEEV-OLZOCXBDSA-N 1 2 381.520 -1.107 20 0 GAADLO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255568 1074638949 /nfs/dbraw/zinc/63/89/49/1074638949.db2.gz OENJJZWETXSEEV-OLZOCXBDSA-N 1 2 381.520 -1.107 20 0 GAADLO C[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255570 1074638823 /nfs/dbraw/zinc/63/88/23/1074638823.db2.gz OENJJZWETXSEEV-QWHCGFSZSA-N 1 2 381.520 -1.107 20 0 GAADLO C[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255570 1074638817 /nfs/dbraw/zinc/63/88/17/1074638817.db2.gz OENJJZWETXSEEV-QWHCGFSZSA-N 1 2 381.520 -1.107 20 0 GAADLO C[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255572 1074638842 /nfs/dbraw/zinc/63/88/42/1074638842.db2.gz OENJJZWETXSEEV-STQMWFEESA-N 1 2 381.520 -1.107 20 0 GAADLO C[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC001324255572 1074638835 /nfs/dbraw/zinc/63/88/35/1074638835.db2.gz OENJJZWETXSEEV-STQMWFEESA-N 1 2 381.520 -1.107 20 0 GAADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC001324271190 1074639521 /nfs/dbraw/zinc/63/95/21/1074639521.db2.gz MABJOJVLGIDSPQ-KBPBESRZSA-N 1 2 380.449 -1.831 20 0 GAADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC001324271191 1074639491 /nfs/dbraw/zinc/63/94/91/1074639491.db2.gz MABJOJVLGIDSPQ-KGLIPLIRSA-N 1 2 380.449 -1.831 20 0 GAADLO Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)CC2 ZINC001324271192 1074639483 /nfs/dbraw/zinc/63/94/83/1074639483.db2.gz MABJOJVLGIDSPQ-UONOGXRCSA-N 1 2 380.449 -1.831 20 0 GAADLO Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)CC2 ZINC001324271193 1074639995 /nfs/dbraw/zinc/63/99/95/1074639995.db2.gz MABJOJVLGIDSPQ-ZIAGYGMSSA-N 1 2 380.449 -1.831 20 0 GAADLO O=C(NCCNS(=O)(=O)c1cccnc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001324294092 1074641101 /nfs/dbraw/zinc/64/11/01/1074641101.db2.gz RTJYEDCWDBQDMC-GFCCVEGCSA-N 1 2 392.441 -1.196 20 0 GAADLO O=C(NCCNS(=O)(=O)c1cccnc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001324294093 1074641055 /nfs/dbraw/zinc/64/10/55/1074641055.db2.gz RTJYEDCWDBQDMC-LBPRGKRZSA-N 1 2 392.441 -1.196 20 0 GAADLO CC(C)(C)Nc1nc(N2C[C@@H](O)C[C@H]2CO)[nH+]c(N2C[C@@H](O)C[C@H]2CO)n1 ZINC001324355915 1074644382 /nfs/dbraw/zinc/64/43/82/1074644382.db2.gz YLZGYSISLFGGSJ-CYDGBPFRSA-N 1 2 382.465 -1.054 20 0 GAADLO CC(C)(C)Nc1nc(N2C[C@@H](O)C[C@H]2CO)nc(N2C[C@@H](O)C[C@H]2CO)[nH+]1 ZINC001324355915 1074644377 /nfs/dbraw/zinc/64/43/77/1074644377.db2.gz YLZGYSISLFGGSJ-CYDGBPFRSA-N 1 2 382.465 -1.054 20 0 GAADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001324374935 1074645534 /nfs/dbraw/zinc/64/55/34/1074645534.db2.gz NUHCYRSNJDSMOK-GFCCVEGCSA-N 1 2 397.432 -1.313 20 0 GAADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001324374937 1074645584 /nfs/dbraw/zinc/64/55/84/1074645584.db2.gz NUHCYRSNJDSMOK-LBPRGKRZSA-N 1 2 397.432 -1.313 20 0 GAADLO CS(=O)(=O)NC1CC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001324385742 1074646125 /nfs/dbraw/zinc/64/61/25/1074646125.db2.gz BLIBBCHAHYNLNG-HIFPTAJRSA-N 1 2 381.458 -1.027 20 0 GAADLO CS(=O)(=O)NC1CC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001324385743 1074646079 /nfs/dbraw/zinc/64/60/79/1074646079.db2.gz BLIBBCHAHYNLNG-PNESKVBLSA-N 1 2 381.458 -1.027 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001324390005 1074646711 /nfs/dbraw/zinc/64/67/11/1074646711.db2.gz VWBPZCUTJQPJDG-BPCQOVAHSA-N 1 2 392.478 -2.666 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001324390014 1074646547 /nfs/dbraw/zinc/64/65/47/1074646547.db2.gz VWBPZCUTJQPJDG-WXRRBKDZSA-N 1 2 392.478 -2.666 20 0 GAADLO C[C@H](O)CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](C)CO ZINC001324395455 1074647114 /nfs/dbraw/zinc/64/71/14/1074647114.db2.gz GFJMLAVMGCIYHB-KBPBESRZSA-N 1 2 383.449 -1.256 20 0 GAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001324395457 1074647096 /nfs/dbraw/zinc/64/70/96/1074647096.db2.gz GFJMLAVMGCIYHB-KGLIPLIRSA-N 1 2 383.449 -1.256 20 0 GAADLO C[C@@H](O)CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](C)CO ZINC001324395459 1074647131 /nfs/dbraw/zinc/64/71/31/1074647131.db2.gz GFJMLAVMGCIYHB-UONOGXRCSA-N 1 2 383.449 -1.256 20 0 GAADLO C[C@@H](O)CN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C)CO ZINC001324395461 1074647760 /nfs/dbraw/zinc/64/77/60/1074647760.db2.gz GFJMLAVMGCIYHB-ZIAGYGMSSA-N 1 2 383.449 -1.256 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001324455718 1074653155 /nfs/dbraw/zinc/65/31/55/1074653155.db2.gz PCZVEBVHSXBRHT-SECBINFHSA-N 1 2 394.354 -1.409 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC001324455723 1074653120 /nfs/dbraw/zinc/65/31/20/1074653120.db2.gz PCZVEBVHSXBRHT-VIFPVBQESA-N 1 2 394.354 -1.409 20 0 GAADLO CN1C[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC001324461150 1074653132 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C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)NCCF ZINC001325190820 1074682926 /nfs/dbraw/zinc/68/29/26/1074682926.db2.gz YJAIAKIWOFNDKN-LBPRGKRZSA-N 1 2 384.412 -1.256 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](OCCO)C2)CC1 ZINC001325306209 1074687565 /nfs/dbraw/zinc/68/75/65/1074687565.db2.gz VTNUIWWZLQBFQQ-INIZCTEOSA-N 1 2 387.477 -1.208 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](OCCO)C2)CC1 ZINC001325306210 1074687553 /nfs/dbraw/zinc/68/75/53/1074687553.db2.gz VTNUIWWZLQBFQQ-MRXNPFEDSA-N 1 2 387.477 -1.208 20 0 GAADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1OCC(N)=O ZINC001325339725 1074688153 /nfs/dbraw/zinc/68/81/53/1074688153.db2.gz UQZMGQGMXUDNIP-UHFFFAOYSA-N 1 2 380.401 -1.366 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)[C@H](C)C1 ZINC001325393832 1074690630 /nfs/dbraw/zinc/69/06/30/1074690630.db2.gz DSMXBMWSTUNENM-ACJLOTCBSA-N 1 2 380.445 -1.179 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)[C@H](C)C1 ZINC001325393832 1074690628 /nfs/dbraw/zinc/69/06/28/1074690628.db2.gz DSMXBMWSTUNENM-ACJLOTCBSA-N 1 2 380.445 -1.179 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)[C@H](C)C1 ZINC001325393833 1074690537 /nfs/dbraw/zinc/69/05/37/1074690537.db2.gz DSMXBMWSTUNENM-FZKQIMNGSA-N 1 2 380.445 -1.179 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)[C@H](C)C1 ZINC001325393833 1074690534 /nfs/dbraw/zinc/69/05/34/1074690534.db2.gz DSMXBMWSTUNENM-FZKQIMNGSA-N 1 2 380.445 -1.179 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)[C@@H](C)C1 ZINC001325393834 1074690566 /nfs/dbraw/zinc/69/05/66/1074690566.db2.gz DSMXBMWSTUNENM-SCLBCKFNSA-N 1 2 380.445 -1.179 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)[C@@H](C)C1 ZINC001325393834 1074690565 /nfs/dbraw/zinc/69/05/65/1074690565.db2.gz DSMXBMWSTUNENM-SCLBCKFNSA-N 1 2 380.445 -1.179 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)[C@@H](C)C1 ZINC001325393835 1074690495 /nfs/dbraw/zinc/69/04/95/1074690495.db2.gz DSMXBMWSTUNENM-UGSOOPFHSA-N 1 2 380.445 -1.179 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)[C@@H](C)C1 ZINC001325393835 1074690491 /nfs/dbraw/zinc/69/04/91/1074690491.db2.gz DSMXBMWSTUNENM-UGSOOPFHSA-N 1 2 380.445 -1.179 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)CC1 ZINC001325396251 1074690622 /nfs/dbraw/zinc/69/06/22/1074690622.db2.gz YOGCGLICHQVJNI-AWEZNQCLSA-N 1 2 395.460 -1.338 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CC1 ZINC001325396253 1074690604 /nfs/dbraw/zinc/69/06/04/1074690604.db2.gz YOGCGLICHQVJNI-CQSZACIVSA-N 1 2 395.460 -1.338 20 0 GAADLO NC(=O)[C@H]1CN(c2nc(N3CCO[C@@H](C(N)=O)C3)c3c([nH+]2)CCS3)CCO1 ZINC001325499578 1074694992 /nfs/dbraw/zinc/69/49/92/1074694992.db2.gz IGYIVWHDOUTXNH-GHMZBOCLSA-N 1 2 394.457 -1.494 20 0 GAADLO NC(=O)[C@H]1CN(c2nc(N3CCO[C@H](C(N)=O)C3)[nH+]c3c2SCC3)CCO1 ZINC001325499579 1074694979 /nfs/dbraw/zinc/69/49/79/1074694979.db2.gz IGYIVWHDOUTXNH-MNOVXSKESA-N 1 2 394.457 -1.494 20 0 GAADLO NC(=O)[C@@H]1CN(c2nc(N3CCO[C@H](C(N)=O)C3)c3c([nH+]2)CCS3)CCO1 ZINC001325499580 1074695036 /nfs/dbraw/zinc/69/50/36/1074695036.db2.gz IGYIVWHDOUTXNH-QWRGUYRKSA-N 1 2 394.457 -1.494 20 0 GAADLO NC(=O)[C@H]1CN(c2nc(N3CCO[C@H](C(N)=O)C3)c3c([nH+]2)CCS3)CCO1 ZINC001325499581 1074695061 /nfs/dbraw/zinc/69/50/61/1074695061.db2.gz IGYIVWHDOUTXNH-WDEREUQCSA-N 1 2 394.457 -1.494 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001325557994 1074697541 /nfs/dbraw/zinc/69/75/41/1074697541.db2.gz YRWDYVQTYJFRDU-UHFFFAOYSA-N 1 2 383.493 -1.601 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001325571104 1074698118 /nfs/dbraw/zinc/69/81/18/1074698118.db2.gz ZWOWWXFVIYTBFJ-AWEZNQCLSA-N 1 2 397.476 -2.293 20 0 GAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCC1 ZINC001325575869 1074698141 /nfs/dbraw/zinc/69/81/41/1074698141.db2.gz CKMJEPJOSWDSSM-UHFFFAOYSA-N 1 2 381.458 -1.118 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)OC)CC2)CC1 ZINC001325603653 1074699738 /nfs/dbraw/zinc/69/97/38/1074699738.db2.gz CHMRTNJXOXKWPM-UHFFFAOYSA-N 1 2 386.449 -1.297 20 0 GAADLO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001325679922 1074701988 /nfs/dbraw/zinc/70/19/88/1074701988.db2.gz RBWIHGZJAVSVTD-CYBMUJFWSA-N 1 2 378.433 -1.421 20 0 GAADLO O=C(NCCNC(=O)c1ccn[nH]1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001325679952 1074702073 /nfs/dbraw/zinc/70/20/73/1074702073.db2.gz RBWIHGZJAVSVTD-ZDUSSCGKSA-N 1 2 378.433 -1.421 20 0 GAADLO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)S1(=O)=O ZINC001325699148 1074703410 /nfs/dbraw/zinc/70/34/10/1074703410.db2.gz WMZUBARIYNGPMG-KBPBESRZSA-N 1 2 376.523 -1.028 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)S1(=O)=O ZINC001325699149 1074703343 /nfs/dbraw/zinc/70/33/43/1074703343.db2.gz WMZUBARIYNGPMG-OKILXGFUSA-N 1 2 376.523 -1.028 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)S1(=O)=O ZINC001325699150 1074703389 /nfs/dbraw/zinc/70/33/89/1074703389.db2.gz WMZUBARIYNGPMG-ZIAGYGMSSA-N 1 2 376.523 -1.028 20 0 GAADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@@]12CCCO2 ZINC001325740709 1074705425 /nfs/dbraw/zinc/70/54/25/1074705425.db2.gz WZNAXDBJGMDEGV-GGXPGOJBSA-N 1 2 399.488 -1.019 20 0 GAADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@@]12CCCO2 ZINC001325740710 1074705674 /nfs/dbraw/zinc/70/56/74/1074705674.db2.gz WZNAXDBJGMDEGV-OLMMMNRUSA-N 1 2 399.488 -1.019 20 0 GAADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[C@]12CCCO2 ZINC001325740711 1074705512 /nfs/dbraw/zinc/70/55/12/1074705512.db2.gz WZNAXDBJGMDEGV-YIOZNXECSA-N 1 2 399.488 -1.019 20 0 GAADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[C@]12CCCO2 ZINC001325740712 1074705566 /nfs/dbraw/zinc/70/55/66/1074705566.db2.gz WZNAXDBJGMDEGV-YYAJDYIMSA-N 1 2 399.488 -1.019 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2nnc3n2CCOC3)C[C@H](C)O1 ZINC001325755385 1074706163 /nfs/dbraw/zinc/70/61/63/1074706163.db2.gz WMCOLFMEWZHLAH-BETUJISGSA-N 1 2 380.449 -1.008 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2nnc3n2CCOC3)C[C@H](C)O1 ZINC001325755385 1074706152 /nfs/dbraw/zinc/70/61/52/1074706152.db2.gz WMCOLFMEWZHLAH-BETUJISGSA-N 1 2 380.449 -1.008 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC001325879632 1074709590 /nfs/dbraw/zinc/70/95/90/1074709590.db2.gz LBBBKRYWHYXEJG-AWEZNQCLSA-N 1 2 398.460 -1.601 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC001325879632 1074709583 /nfs/dbraw/zinc/70/95/83/1074709583.db2.gz LBBBKRYWHYXEJG-AWEZNQCLSA-N 1 2 398.460 -1.601 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001325879633 1074709693 /nfs/dbraw/zinc/70/96/93/1074709693.db2.gz LBBBKRYWHYXEJG-CQSZACIVSA-N 1 2 398.460 -1.601 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N(C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001325879633 1074709683 /nfs/dbraw/zinc/70/96/83/1074709683.db2.gz LBBBKRYWHYXEJG-CQSZACIVSA-N 1 2 398.460 -1.601 20 0 GAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001325931771 1074711833 /nfs/dbraw/zinc/71/18/33/1074711833.db2.gz QKONFMZUCSHKHS-STQMWFEESA-N 1 2 376.479 -1.996 20 0 GAADLO CN1C(=O)CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC001325939159 1074711857 /nfs/dbraw/zinc/71/18/57/1074711857.db2.gz DNLXKOZMEDXHPP-CYBMUJFWSA-N 1 2 396.444 -1.752 20 0 GAADLO CN1C(=O)CC[C@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1=O ZINC001325939160 1074711775 /nfs/dbraw/zinc/71/17/75/1074711775.db2.gz DNLXKOZMEDXHPP-ZDUSSCGKSA-N 1 2 396.444 -1.752 20 0 GAADLO CCON(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001325943096 1074711953 /nfs/dbraw/zinc/71/19/53/1074711953.db2.gz BLKMJAWUKIFJDD-UHFFFAOYSA-N 1 2 377.467 -1.967 20 0 GAADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001326030098 1074716530 /nfs/dbraw/zinc/71/65/30/1074716530.db2.gz VHLPGCYAQPJFCP-CYBMUJFWSA-N 1 2 399.473 -1.486 20 0 GAADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC001326030099 1074716257 /nfs/dbraw/zinc/71/62/57/1074716257.db2.gz VHLPGCYAQPJFCP-ZDUSSCGKSA-N 1 2 399.473 -1.486 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001326031122 1074716819 /nfs/dbraw/zinc/71/68/19/1074716819.db2.gz ZPWAHPWGYHSRKB-UHFFFAOYSA-N 1 2 392.478 -2.445 20 0 GAADLO COCCNc1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)[nH+]c(N2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC001326084587 1074718335 /nfs/dbraw/zinc/71/83/35/1074718335.db2.gz NILHRHWPIKOMHK-AEZKZLSMSA-N 1 2 376.461 -1.299 20 0 GAADLO COc1c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cccc1C(N)=O ZINC001326103906 1074719236 /nfs/dbraw/zinc/71/92/36/1074719236.db2.gz ZVZOQLLYUUYEFF-GFCCVEGCSA-N 1 2 394.428 -1.116 20 0 GAADLO COc1c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1C(N)=O ZINC001326103908 1074719195 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O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001327507948 1074789577 /nfs/dbraw/zinc/78/95/77/1074789577.db2.gz MBQNKYRDSABYCL-HPVADCDUSA-N 1 2 384.502 -1.759 20 0 GAADLO O=C(N[C@H]1CCN(CC[NH+]2CCOCC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001327507948 1074789571 /nfs/dbraw/zinc/78/95/71/1074789571.db2.gz MBQNKYRDSABYCL-HPVADCDUSA-N 1 2 384.502 -1.759 20 0 GAADLO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001327507949 1074789674 /nfs/dbraw/zinc/78/96/74/1074789674.db2.gz MBQNKYRDSABYCL-DLOXHAQLSA-N 1 2 384.502 -1.759 20 0 GAADLO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001327507949 1074789662 /nfs/dbraw/zinc/78/96/62/1074789662.db2.gz MBQNKYRDSABYCL-DLOXHAQLSA-N 1 2 384.502 -1.759 20 0 GAADLO O=C(N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001327507949 1074789649 /nfs/dbraw/zinc/78/96/49/1074789649.db2.gz MBQNKYRDSABYCL-DLOXHAQLSA-N 1 2 384.502 -1.759 20 0 GAADLO COC(=O)CCN1CCC[C@@H]([NH+]2CCN(CCS(N)(=O)=O)CC2)C1=O ZINC001327547012 1074791254 /nfs/dbraw/zinc/79/12/54/1074791254.db2.gz RADVEKTYUGVIFY-CYBMUJFWSA-N 1 2 376.479 -1.553 20 0 GAADLO COC(=O)CCN1CCC[C@H]([NH+]2CCN(CCS(N)(=O)=O)CC2)C1=O ZINC001327547013 1074791720 /nfs/dbraw/zinc/79/17/20/1074791720.db2.gz RADVEKTYUGVIFY-ZDUSSCGKSA-N 1 2 376.479 -1.553 20 0 GAADLO NC(=O)CCS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC001327575594 1074793093 /nfs/dbraw/zinc/79/30/93/1074793093.db2.gz XRBNKOXDCXMWLO-UHFFFAOYSA-N 1 2 376.479 -1.217 20 0 GAADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(N(C)C)nn1 ZINC001327590066 1074793879 /nfs/dbraw/zinc/79/38/79/1074793879.db2.gz FRGXGFIQOUCPGG-CYBMUJFWSA-N 1 2 380.449 -1.059 20 0 GAADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(N(C)C)nn1 ZINC001327590067 1074793777 /nfs/dbraw/zinc/79/37/77/1074793777.db2.gz FRGXGFIQOUCPGG-ZDUSSCGKSA-N 1 2 380.449 -1.059 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC001327630131 1074795085 /nfs/dbraw/zinc/79/50/85/1074795085.db2.gz AVSNCUMRTJDXGB-KPZWWZAWSA-N 1 2 385.428 -1.005 20 0 GAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001327656709 1074796008 /nfs/dbraw/zinc/79/60/08/1074796008.db2.gz GFJSIRJNZKPPFF-AWEZNQCLSA-N 1 2 378.433 -1.016 20 0 GAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001327656711 1074796066 /nfs/dbraw/zinc/79/60/66/1074796066.db2.gz GFJSIRJNZKPPFF-CQSZACIVSA-N 1 2 378.433 -1.016 20 0 GAADLO O=C(c1cncc(C(=O)N2CC[NH+](CCO)CC2)c1)N1CCN(CCO)CC1 ZINC001327657238 1074796094 /nfs/dbraw/zinc/79/60/94/1074796094.db2.gz JGLCXYIMVRSLOP-UHFFFAOYSA-N 1 2 391.472 -1.418 20 0 GAADLO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327721231 1074798681 /nfs/dbraw/zinc/79/86/81/1074798681.db2.gz AFDHTWYWXNMGOR-RWMBFGLXSA-N 1 2 378.495 -1.344 20 0 GAADLO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327721231 1074798677 /nfs/dbraw/zinc/79/86/77/1074798677.db2.gz AFDHTWYWXNMGOR-RWMBFGLXSA-N 1 2 378.495 -1.344 20 0 GAADLO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327721233 1074798889 /nfs/dbraw/zinc/79/88/89/1074798889.db2.gz AFDHTWYWXNMGOR-UPJWGTAASA-N 1 2 378.495 -1.344 20 0 GAADLO CCS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327721233 1074798874 /nfs/dbraw/zinc/79/88/74/1074798874.db2.gz AFDHTWYWXNMGOR-UPJWGTAASA-N 1 2 378.495 -1.344 20 0 GAADLO C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736111 1074799577 /nfs/dbraw/zinc/79/95/77/1074799577.db2.gz CCDKKFCWJFGQPJ-RWMBFGLXSA-N 1 2 383.449 -1.342 20 0 GAADLO C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736111 1074799574 /nfs/dbraw/zinc/79/95/74/1074799574.db2.gz CCDKKFCWJFGQPJ-RWMBFGLXSA-N 1 2 383.449 -1.342 20 0 GAADLO C[C@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736112 1074799779 /nfs/dbraw/zinc/79/97/79/1074799779.db2.gz CCDKKFCWJFGQPJ-UPJWGTAASA-N 1 2 383.449 -1.342 20 0 GAADLO C[C@H](CNC(=O)C(=O)NCCCN1C(=O)CNC1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736112 1074799770 /nfs/dbraw/zinc/79/97/70/1074799770.db2.gz CCDKKFCWJFGQPJ-UPJWGTAASA-N 1 2 383.449 -1.342 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736827 1074799699 /nfs/dbraw/zinc/79/96/99/1074799699.db2.gz QOZRLTCFGHUPSS-RWMBFGLXSA-N 1 2 378.495 -1.344 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736827 1074799694 /nfs/dbraw/zinc/79/96/94/1074799694.db2.gz QOZRLTCFGHUPSS-RWMBFGLXSA-N 1 2 378.495 -1.344 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736828 1074799654 /nfs/dbraw/zinc/79/96/54/1074799654.db2.gz QOZRLTCFGHUPSS-UPJWGTAASA-N 1 2 378.495 -1.344 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327736828 1074799647 /nfs/dbraw/zinc/79/96/47/1074799647.db2.gz QOZRLTCFGHUPSS-UPJWGTAASA-N 1 2 378.495 -1.344 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757204 1074801537 /nfs/dbraw/zinc/80/15/37/1074801537.db2.gz DECJYFSPEHHYJP-FQUUOJAGSA-N 1 2 390.506 -1.250 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757204 1074801532 /nfs/dbraw/zinc/80/15/32/1074801532.db2.gz DECJYFSPEHHYJP-FQUUOJAGSA-N 1 2 390.506 -1.250 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757205 1074801701 /nfs/dbraw/zinc/80/17/01/1074801701.db2.gz DECJYFSPEHHYJP-IGQOVBAYSA-N 1 2 390.506 -1.250 20 0 GAADLO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757205 1074801694 /nfs/dbraw/zinc/80/16/94/1074801694.db2.gz DECJYFSPEHHYJP-IGQOVBAYSA-N 1 2 390.506 -1.250 20 0 GAADLO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757206 1074801668 /nfs/dbraw/zinc/80/16/68/1074801668.db2.gz DECJYFSPEHHYJP-MQYQWHSLSA-N 1 2 390.506 -1.250 20 0 GAADLO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757206 1074801662 /nfs/dbraw/zinc/80/16/62/1074801662.db2.gz DECJYFSPEHHYJP-MQYQWHSLSA-N 1 2 390.506 -1.250 20 0 GAADLO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757207 1074801623 /nfs/dbraw/zinc/80/16/23/1074801623.db2.gz DECJYFSPEHHYJP-YIYPIFLZSA-N 1 2 390.506 -1.250 20 0 GAADLO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001327757207 1074801617 /nfs/dbraw/zinc/80/16/17/1074801617.db2.gz DECJYFSPEHHYJP-YIYPIFLZSA-N 1 2 390.506 -1.250 20 0 GAADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001327771840 1074802461 /nfs/dbraw/zinc/80/24/61/1074802461.db2.gz AITUOIBABXVCCT-UHFFFAOYSA-N 1 2 392.522 -1.047 20 0 GAADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC001327771840 1074802451 /nfs/dbraw/zinc/80/24/51/1074802451.db2.gz AITUOIBABXVCCT-UHFFFAOYSA-N 1 2 392.522 -1.047 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC001327772315 1074802846 /nfs/dbraw/zinc/80/28/46/1074802846.db2.gz GONACRWREQROPI-UHFFFAOYSA-N 1 2 398.489 -1.050 20 0 GAADLO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC001327783297 1074804009 /nfs/dbraw/zinc/80/40/09/1074804009.db2.gz QGTXPORGMREWAZ-UHFFFAOYSA-N 1 2 394.457 -1.099 20 0 GAADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001327784520 1074804331 /nfs/dbraw/zinc/80/43/31/1074804331.db2.gz YCBWQRYCGTWWDK-UHFFFAOYSA-N 1 2 385.446 -1.912 20 0 GAADLO CO[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001327793534 1074804815 /nfs/dbraw/zinc/80/48/15/1074804815.db2.gz SQXPWCPCCNFPGQ-ZDUSSCGKSA-N 1 2 391.494 -2.226 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2)CC1 ZINC001327830363 1074806504 /nfs/dbraw/zinc/80/65/04/1074806504.db2.gz QAXUPWZIAHJOKP-BIENJYKASA-N 1 2 394.472 -1.169 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2)CC1 ZINC001327830363 1074806498 /nfs/dbraw/zinc/80/64/98/1074806498.db2.gz QAXUPWZIAHJOKP-BIENJYKASA-N 1 2 394.472 -1.169 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2)CC1 ZINC001327830364 1074806611 /nfs/dbraw/zinc/80/66/11/1074806611.db2.gz QAXUPWZIAHJOKP-PJIJBLCYSA-N 1 2 394.472 -1.169 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)[O-])C3)C2)CC1 ZINC001327830364 1074806606 /nfs/dbraw/zinc/80/66/06/1074806606.db2.gz QAXUPWZIAHJOKP-PJIJBLCYSA-N 1 2 394.472 -1.169 20 0 GAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)CC1 ZINC001327854269 1074807008 /nfs/dbraw/zinc/80/70/08/1074807008.db2.gz BLMSGLQYGMSCHT-UHFFFAOYSA-N 1 2 389.522 -1.167 20 0 GAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)CC1 ZINC001327854269 1074807004 /nfs/dbraw/zinc/80/70/04/1074807004.db2.gz BLMSGLQYGMSCHT-UHFFFAOYSA-N 1 2 389.522 -1.167 20 0 GAADLO COCCn1c(N)c(C(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c(=O)[nH]c1=O ZINC001327863928 1074807419 /nfs/dbraw/zinc/80/74/19/1074807419.db2.gz KEMMCKRGWGZSFC-GFCCVEGCSA-N 1 2 381.433 -1.233 20 0 GAADLO COCCn1c(N)c(C(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)c(=O)[nH]c1=O ZINC001327863931 1074807490 /nfs/dbraw/zinc/80/74/90/1074807490.db2.gz KEMMCKRGWGZSFC-LBPRGKRZSA-N 1 2 381.433 -1.233 20 0 GAADLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327896974 1074808208 /nfs/dbraw/zinc/80/82/08/1074808208.db2.gz ANJIMAREMLIULP-BZUAXINKSA-N 1 2 398.529 -1.082 20 0 GAADLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327896974 1074808203 /nfs/dbraw/zinc/80/82/03/1074808203.db2.gz ANJIMAREMLIULP-BZUAXINKSA-N 1 2 398.529 -1.082 20 0 GAADLO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327896975 1074808435 /nfs/dbraw/zinc/80/84/35/1074808435.db2.gz ANJIMAREMLIULP-OAGGEKHMSA-N 1 2 398.529 -1.082 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001327896975 1074808431 /nfs/dbraw/zinc/80/84/31/1074808431.db2.gz ANJIMAREMLIULP-OAGGEKHMSA-N 1 2 398.529 -1.082 20 0 GAADLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001327896976 1074808402 /nfs/dbraw/zinc/80/84/02/1074808402.db2.gz ANJIMAREMLIULP-OWCLPIDISA-N 1 2 398.529 -1.082 20 0 GAADLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001327896976 1074808393 /nfs/dbraw/zinc/80/83/93/1074808393.db2.gz ANJIMAREMLIULP-OWCLPIDISA-N 1 2 398.529 -1.082 20 0 GAADLO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001327896977 1074808296 /nfs/dbraw/zinc/80/82/96/1074808296.db2.gz ANJIMAREMLIULP-PMPSAXMXSA-N 1 2 398.529 -1.082 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001327896977 1074808286 /nfs/dbraw/zinc/80/82/86/1074808286.db2.gz ANJIMAREMLIULP-PMPSAXMXSA-N 1 2 398.529 -1.082 20 0 GAADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001327934019 1074810342 /nfs/dbraw/zinc/81/03/42/1074810342.db2.gz HUJOJCRMEBSWDG-UHFFFAOYSA-N 1 2 385.446 -1.865 20 0 GAADLO COC(=O)N(C)CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001328020620 1074814417 /nfs/dbraw/zinc/81/44/17/1074814417.db2.gz XDZMUYDRIBDIJG-UHFFFAOYSA-N 1 2 392.478 -1.574 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@]2(OCCO)CCOC2)CC1 ZINC001328039927 1074815245 /nfs/dbraw/zinc/81/52/45/1074815245.db2.gz BSWOVTAUOFVQSY-INIZCTEOSA-N 1 2 393.506 -1.037 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@]2(OCCO)CCOC2)CC1 ZINC001328039928 1074815930 /nfs/dbraw/zinc/81/59/30/1074815930.db2.gz BSWOVTAUOFVQSY-MRXNPFEDSA-N 1 2 393.506 -1.037 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001328101415 1074818695 /nfs/dbraw/zinc/81/86/95/1074818695.db2.gz OMNQAIBXLKYDIV-CYBMUJFWSA-N 1 2 386.416 -1.125 20 0 GAADLO 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ZINC001328815403 1074848492 /nfs/dbraw/zinc/84/84/92/1074848492.db2.gz KNGVOMHMPNKNJR-CQSZACIVSA-N 1 2 390.506 -1.245 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)CC1 ZINC001328839440 1074850460 /nfs/dbraw/zinc/85/04/60/1074850460.db2.gz NWPZVPSHBLAVHJ-AWEZNQCLSA-N 1 2 384.477 -1.083 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)CC1 ZINC001328839441 1074850961 /nfs/dbraw/zinc/85/09/61/1074850961.db2.gz NWPZVPSHBLAVHJ-CQSZACIVSA-N 1 2 384.477 -1.083 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC001328841439 1074850885 /nfs/dbraw/zinc/85/08/85/1074850885.db2.gz AMJBHFWUAAREEP-DGCLKSJQSA-N 1 2 399.411 -1.357 20 0 GAADLO CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(NS(N)(=O)=O)CC2)CC1 ZINC001328892944 1074854426 /nfs/dbraw/zinc/85/44/26/1074854426.db2.gz UCFAVUUTUNTBID-UHFFFAOYSA-N 1 2 391.494 -1.019 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)[C@H](C)C1 ZINC001328895525 1074854914 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/nfs/dbraw/zinc/85/51/08/1074855108.db2.gz MOZAXCYLUYWVLW-ZDUSSCGKSA-N 1 2 387.448 -1.452 20 0 GAADLO CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001328937409 1074857452 /nfs/dbraw/zinc/85/74/52/1074857452.db2.gz BUHVSBMTBAZOOM-AWEZNQCLSA-N 1 2 397.476 -2.292 20 0 GAADLO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001328942238 1074858047 /nfs/dbraw/zinc/85/80/47/1074858047.db2.gz GPMYYPYGWIKZBP-CHWSQXEVSA-N 1 2 381.458 -1.073 20 0 GAADLO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001328942241 1074858073 /nfs/dbraw/zinc/85/80/73/1074858073.db2.gz GPMYYPYGWIKZBP-OLZOCXBDSA-N 1 2 381.458 -1.073 20 0 GAADLO CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001328942245 1074858085 /nfs/dbraw/zinc/85/80/85/1074858085.db2.gz GPMYYPYGWIKZBP-QWHCGFSZSA-N 1 2 381.458 -1.073 20 0 GAADLO CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001328942249 1074857987 /nfs/dbraw/zinc/85/79/87/1074857987.db2.gz GPMYYPYGWIKZBP-STQMWFEESA-N 1 2 381.458 -1.073 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001328988026 1074860468 /nfs/dbraw/zinc/86/04/68/1074860468.db2.gz MGECQVVLXVTJLR-UHFFFAOYSA-N 1 2 389.416 -1.486 20 0 GAADLO O=C(CN1C(=O)CNC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001328988026 1074860461 /nfs/dbraw/zinc/86/04/61/1074860461.db2.gz MGECQVVLXVTJLR-UHFFFAOYSA-N 1 2 389.416 -1.486 20 0 GAADLO O=C(CN1CCC[C@H]([NH+]2CCOCC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001329018478 1074861161 /nfs/dbraw/zinc/86/11/61/1074861161.db2.gz SFQVBLUSLMYCJM-KBPBESRZSA-N 1 2 388.490 -1.204 20 0 GAADLO O=C(CN1CCC[C@H]([NH+]2CCOCC2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001329018479 1074861276 /nfs/dbraw/zinc/86/12/76/1074861276.db2.gz SFQVBLUSLMYCJM-KGLIPLIRSA-N 1 2 388.490 -1.204 20 0 GAADLO O=C(CN1CCC[C@@H]([NH+]2CCOCC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001329018480 1074861153 /nfs/dbraw/zinc/86/11/53/1074861153.db2.gz SFQVBLUSLMYCJM-UONOGXRCSA-N 1 2 388.490 -1.204 20 0 GAADLO O=C(CN1CCC[C@@H]([NH+]2CCOCC2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001329018481 1074861243 /nfs/dbraw/zinc/86/12/43/1074861243.db2.gz SFQVBLUSLMYCJM-ZIAGYGMSSA-N 1 2 388.490 -1.204 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC001329040414 1074862377 /nfs/dbraw/zinc/86/23/77/1074862377.db2.gz HFUBQPNJLDCLHV-CHWSQXEVSA-N 1 2 380.445 -1.038 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC001329040414 1074862375 /nfs/dbraw/zinc/86/23/75/1074862375.db2.gz HFUBQPNJLDCLHV-CHWSQXEVSA-N 1 2 380.445 -1.038 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC001329040417 1074862408 /nfs/dbraw/zinc/86/24/08/1074862408.db2.gz HFUBQPNJLDCLHV-OLZOCXBDSA-N 1 2 380.445 -1.038 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC001329040417 1074862406 /nfs/dbraw/zinc/86/24/06/1074862406.db2.gz HFUBQPNJLDCLHV-OLZOCXBDSA-N 1 2 380.445 -1.038 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC001329040420 1074862383 /nfs/dbraw/zinc/86/23/83/1074862383.db2.gz HFUBQPNJLDCLHV-QWHCGFSZSA-N 1 2 380.445 -1.038 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC001329040420 1074862381 /nfs/dbraw/zinc/86/23/81/1074862381.db2.gz HFUBQPNJLDCLHV-QWHCGFSZSA-N 1 2 380.445 -1.038 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC001329040423 1074862359 /nfs/dbraw/zinc/86/23/59/1074862359.db2.gz HFUBQPNJLDCLHV-STQMWFEESA-N 1 2 380.445 -1.038 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC001329040423 1074862356 /nfs/dbraw/zinc/86/23/56/1074862356.db2.gz HFUBQPNJLDCLHV-STQMWFEESA-N 1 2 380.445 -1.038 20 0 GAADLO CN1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC1=O ZINC001329082180 1074863590 /nfs/dbraw/zinc/86/35/90/1074863590.db2.gz OUYSMPFDEIWDBG-UHFFFAOYSA-N 1 2 382.461 -1.325 20 0 GAADLO CN1CCC[C@@H](NC(=O)C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)C1=O ZINC001329093283 1074863913 /nfs/dbraw/zinc/86/39/13/1074863913.db2.gz JLTWJFJWIDGVIE-CYBMUJFWSA-N 1 2 389.460 -1.176 20 0 GAADLO CN1CCC[C@H](NC(=O)C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)C1=O ZINC001329093284 1074863977 /nfs/dbraw/zinc/86/39/77/1074863977.db2.gz JLTWJFJWIDGVIE-ZDUSSCGKSA-N 1 2 389.460 -1.176 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001329134546 1074866094 /nfs/dbraw/zinc/86/60/94/1074866094.db2.gz XPGDRTCMBOSJSC-KBPBESRZSA-N 1 2 384.433 -1.763 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001329134547 1074866081 /nfs/dbraw/zinc/86/60/81/1074866081.db2.gz XPGDRTCMBOSJSC-KGLIPLIRSA-N 1 2 384.433 -1.763 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001329134548 1074866198 /nfs/dbraw/zinc/86/61/98/1074866198.db2.gz XPGDRTCMBOSJSC-UONOGXRCSA-N 1 2 384.433 -1.763 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001329134549 1074866112 /nfs/dbraw/zinc/86/61/12/1074866112.db2.gz XPGDRTCMBOSJSC-ZIAGYGMSSA-N 1 2 384.433 -1.763 20 0 GAADLO COCCN1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001329142130 1074866336 /nfs/dbraw/zinc/86/63/36/1074866336.db2.gz KOIDNIUWRUYDIS-KFWWJZLASA-N 1 2 384.477 -1.083 20 0 GAADLO COCCN1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001329142130 1074866333 /nfs/dbraw/zinc/86/63/33/1074866333.db2.gz KOIDNIUWRUYDIS-KFWWJZLASA-N 1 2 384.477 -1.083 20 0 GAADLO COCCN1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001329142131 1074866373 /nfs/dbraw/zinc/86/63/73/1074866373.db2.gz KOIDNIUWRUYDIS-SOUVJXGZSA-N 1 2 384.477 -1.083 20 0 GAADLO COCCN1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001329142131 1074866370 /nfs/dbraw/zinc/86/63/70/1074866370.db2.gz KOIDNIUWRUYDIS-SOUVJXGZSA-N 1 2 384.477 -1.083 20 0 GAADLO Cc1c[nH+]c(N2CCO[C@H](CC(N)=O)C2)nc1N1CCO[C@H](CC(N)=O)C1 ZINC001329208230 1074869451 /nfs/dbraw/zinc/86/94/51/1074869451.db2.gz OIPXXTWWPFQXKU-CHWSQXEVSA-N 1 2 378.433 -1.054 20 0 GAADLO Cc1c[nH+]c(N2CCO[C@@H](CC(N)=O)C2)nc1N1CCO[C@H](CC(N)=O)C1 ZINC001329208231 1074869437 /nfs/dbraw/zinc/86/94/37/1074869437.db2.gz OIPXXTWWPFQXKU-OLZOCXBDSA-N 1 2 378.433 -1.054 20 0 GAADLO Cc1c[nH+]c(N2CCO[C@H](CC(N)=O)C2)nc1N1CCO[C@@H](CC(N)=O)C1 ZINC001329208232 1074869583 /nfs/dbraw/zinc/86/95/83/1074869583.db2.gz OIPXXTWWPFQXKU-QWHCGFSZSA-N 1 2 378.433 -1.054 20 0 GAADLO Cc1c[nH+]c(N2CCO[C@@H](CC(N)=O)C2)nc1N1CCO[C@@H](CC(N)=O)C1 ZINC001329208233 1074869537 /nfs/dbraw/zinc/86/95/37/1074869537.db2.gz OIPXXTWWPFQXKU-STQMWFEESA-N 1 2 378.433 -1.054 20 0 GAADLO Cn1cc(S(=O)(=O)N2CCC(NC(=O)CN3CC[NH2+]CC3=O)CC2)cn1 ZINC001329272703 1074872542 /nfs/dbraw/zinc/87/25/42/1074872542.db2.gz LLQDHIJPLFLXKN-UHFFFAOYSA-N 1 2 384.462 -1.879 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)[C@H](C)C1 ZINC001329278461 1074873041 /nfs/dbraw/zinc/87/30/41/1074873041.db2.gz SEPSKKRDLZOIMA-ACJLOTCBSA-N 1 2 399.444 -1.127 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)[C@H](C)C1 ZINC001329278461 1074873039 /nfs/dbraw/zinc/87/30/39/1074873039.db2.gz SEPSKKRDLZOIMA-ACJLOTCBSA-N 1 2 399.444 -1.127 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)[C@H](C)C1 ZINC001329278462 1074873023 /nfs/dbraw/zinc/87/30/23/1074873023.db2.gz SEPSKKRDLZOIMA-FZKQIMNGSA-N 1 2 399.444 -1.127 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)[C@H](C)C1 ZINC001329278462 1074873022 /nfs/dbraw/zinc/87/30/22/1074873022.db2.gz SEPSKKRDLZOIMA-FZKQIMNGSA-N 1 2 399.444 -1.127 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)[C@@H](C)C1 ZINC001329278463 1074873031 /nfs/dbraw/zinc/87/30/31/1074873031.db2.gz SEPSKKRDLZOIMA-SCLBCKFNSA-N 1 2 399.444 -1.127 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)[C@@H](C)C1 ZINC001329278463 1074873029 /nfs/dbraw/zinc/87/30/29/1074873029.db2.gz SEPSKKRDLZOIMA-SCLBCKFNSA-N 1 2 399.444 -1.127 20 0 GAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)[C@@H](C)C1 ZINC001329278464 1074872963 /nfs/dbraw/zinc/87/29/63/1074872963.db2.gz SEPSKKRDLZOIMA-UGSOOPFHSA-N 1 2 399.444 -1.127 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](OC)(C(=O)OC)C2)[C@@H](C)C1 ZINC001329278464 1074872961 /nfs/dbraw/zinc/87/29/61/1074872961.db2.gz SEPSKKRDLZOIMA-UGSOOPFHSA-N 1 2 399.444 -1.127 20 0 GAADLO CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001329343065 1074876531 /nfs/dbraw/zinc/87/65/31/1074876531.db2.gz BMIBIFOYFNNLAQ-KBPBESRZSA-N 1 2 390.506 -1.701 20 0 GAADLO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001329343069 1074876643 /nfs/dbraw/zinc/87/66/43/1074876643.db2.gz BMIBIFOYFNNLAQ-UONOGXRCSA-N 1 2 390.506 -1.701 20 0 GAADLO CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001329347085 1074876567 /nfs/dbraw/zinc/87/65/67/1074876567.db2.gz XPPRFWGJSMVKJT-CVEARBPZSA-N 1 2 384.477 -1.345 20 0 GAADLO CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001329347086 1074876540 /nfs/dbraw/zinc/87/65/40/1074876540.db2.gz XPPRFWGJSMVKJT-HOTGVXAUSA-N 1 2 384.477 -1.345 20 0 GAADLO CC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001329347087 1074876551 /nfs/dbraw/zinc/87/65/51/1074876551.db2.gz XPPRFWGJSMVKJT-HZPDHXFCSA-N 1 2 384.477 -1.345 20 0 GAADLO CC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001329347088 1074876593 /nfs/dbraw/zinc/87/65/93/1074876593.db2.gz XPPRFWGJSMVKJT-JKSUJKDBSA-N 1 2 384.477 -1.345 20 0 GAADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001329380491 1074878179 /nfs/dbraw/zinc/87/81/79/1074878179.db2.gz BXINOGDIKFLLEV-UHFFFAOYSA-N 1 2 398.489 -1.044 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 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O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001330564165 1074919435 /nfs/dbraw/zinc/91/94/35/1074919435.db2.gz GCFBJVLFNYXIAC-HOTGVXAUSA-N 1 2 396.517 -1.069 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001330564165 1074919429 /nfs/dbraw/zinc/91/94/29/1074919429.db2.gz GCFBJVLFNYXIAC-HOTGVXAUSA-N 1 2 396.517 -1.069 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001330564167 1074919486 /nfs/dbraw/zinc/91/94/86/1074919486.db2.gz GCFBJVLFNYXIAC-HZPDHXFCSA-N 1 2 396.517 -1.069 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001330564167 1074919477 /nfs/dbraw/zinc/91/94/77/1074919477.db2.gz GCFBJVLFNYXIAC-HZPDHXFCSA-N 1 2 396.517 -1.069 20 0 GAADLO O=C(C[N@H+]1CC[C@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001330564169 1074919756 /nfs/dbraw/zinc/91/97/56/1074919756.db2.gz GCFBJVLFNYXIAC-JKSUJKDBSA-N 1 2 396.517 -1.069 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001330564169 1074919753 /nfs/dbraw/zinc/91/97/53/1074919753.db2.gz GCFBJVLFNYXIAC-JKSUJKDBSA-N 1 2 396.517 -1.069 20 0 GAADLO CN1CCN(C(=O)C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)CCC1=O ZINC001330603002 1074920507 /nfs/dbraw/zinc/92/05/07/1074920507.db2.gz RIOCTJBFAFCCQZ-UHFFFAOYSA-N 1 2 389.460 -1.222 20 0 GAADLO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001330611935 1074920796 /nfs/dbraw/zinc/92/07/96/1074920796.db2.gz QXTRRFUUZUYKOS-INIZCTEOSA-N 1 2 381.521 -1.081 20 0 GAADLO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001330611936 1074920715 /nfs/dbraw/zinc/92/07/15/1074920715.db2.gz QXTRRFUUZUYKOS-MRXNPFEDSA-N 1 2 381.521 -1.081 20 0 GAADLO CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)C[C@H]2C1=O ZINC001330611981 1074920848 /nfs/dbraw/zinc/92/08/48/1074920848.db2.gz SIUYTTJYFCQIBA-BARDWOONSA-N 1 2 392.456 -1.181 20 0 GAADLO CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)C[C@H]2C1=O ZINC001330611982 1074920837 /nfs/dbraw/zinc/92/08/37/1074920837.db2.gz SIUYTTJYFCQIBA-LJISPDSOSA-N 1 2 392.456 -1.181 20 0 GAADLO CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)C[C@H]2C1=O ZINC001330611983 1074920752 /nfs/dbraw/zinc/92/07/52/1074920752.db2.gz SIUYTTJYFCQIBA-LXTVHRRPSA-N 1 2 392.456 -1.181 20 0 GAADLO CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)C[C@H]2C1=O ZINC001330611984 1074920780 /nfs/dbraw/zinc/92/07/80/1074920780.db2.gz SIUYTTJYFCQIBA-XGUBFFRZSA-N 1 2 392.456 -1.181 20 0 GAADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CS1(=O)=O ZINC001330674380 1074922027 /nfs/dbraw/zinc/92/20/27/1074922027.db2.gz ILAIFWXEACCWNW-HZSPNIEDSA-N 1 2 391.490 -1.780 20 0 GAADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CS1(=O)=O ZINC001330674390 1074922043 /nfs/dbraw/zinc/92/20/43/1074922043.db2.gz ILAIFWXEACCWNW-MCIONIFRSA-N 1 2 391.490 -1.780 20 0 GAADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CS1(=O)=O ZINC001330674392 1074922329 /nfs/dbraw/zinc/92/23/29/1074922329.db2.gz ILAIFWXEACCWNW-MGPQQGTHSA-N 1 2 391.490 -1.780 20 0 GAADLO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CS1(=O)=O ZINC001330674394 1074922223 /nfs/dbraw/zinc/92/22/23/1074922223.db2.gz ILAIFWXEACCWNW-RDBSUJKOSA-N 1 2 391.490 -1.780 20 0 GAADLO C[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3nnnn3CC3CC3)CC2)CC1 ZINC001330762231 1074923813 /nfs/dbraw/zinc/92/38/13/1074923813.db2.gz VBOHBJPYLHCFIO-UHFFFAOYSA-N 1 2 390.492 -1.062 20 0 GAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001330901986 1074926110 /nfs/dbraw/zinc/92/61/10/1074926110.db2.gz LFMFEYMWFKLLGP-UHFFFAOYSA-N 1 2 397.523 -2.392 20 0 GAADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001330922508 1074926368 /nfs/dbraw/zinc/92/63/68/1074926368.db2.gz KTVDTPXFYYGTLE-IYBDPMFKSA-N 1 2 397.520 -1.214 20 0 GAADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001330922508 1074926364 /nfs/dbraw/zinc/92/63/64/1074926364.db2.gz KTVDTPXFYYGTLE-IYBDPMFKSA-N 1 2 397.520 -1.214 20 0 GAADLO O=C(C(=O)N1CCn2c[nH+]cc2C1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001330928265 1074926794 /nfs/dbraw/zinc/92/67/94/1074926794.db2.gz DOIOZGQMGZMZGS-UHFFFAOYSA-N 1 2 376.417 -1.178 20 0 GAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC001330928661 1074926769 /nfs/dbraw/zinc/92/67/69/1074926769.db2.gz HFAWPGWUAHDKMF-UHFFFAOYSA-N 1 2 379.461 -1.512 20 0 GAADLO CC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001331084605 1074930443 /nfs/dbraw/zinc/93/04/43/1074930443.db2.gz JEMSROAKJCYMGX-OAHLLOKOSA-N 1 2 382.461 -1.279 20 0 GAADLO CCS(=O)(=O)C1(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001331106008 1074930821 /nfs/dbraw/zinc/93/08/21/1074930821.db2.gz IFBZPRFJBOILSZ-CYBMUJFWSA-N 1 2 391.490 -1.779 20 0 GAADLO CCS(=O)(=O)C1(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001331106016 1074930827 /nfs/dbraw/zinc/93/08/27/1074930827.db2.gz IFBZPRFJBOILSZ-ZDUSSCGKSA-N 1 2 391.490 -1.779 20 0 GAADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001331209047 1074988515 /nfs/dbraw/zinc/98/85/15/1074988515.db2.gz RBGWOKRLPGYZNE-CYBMUJFWSA-N 1 2 390.506 -1.294 20 0 GAADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001331209047 1074988510 /nfs/dbraw/zinc/98/85/10/1074988510.db2.gz RBGWOKRLPGYZNE-CYBMUJFWSA-N 1 2 390.506 -1.294 20 0 GAADLO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001331209048 1074988527 /nfs/dbraw/zinc/98/85/27/1074988527.db2.gz RBGWOKRLPGYZNE-ZDUSSCGKSA-N 1 2 390.506 -1.294 20 0 GAADLO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001331209048 1074988522 /nfs/dbraw/zinc/98/85/22/1074988522.db2.gz RBGWOKRLPGYZNE-ZDUSSCGKSA-N 1 2 390.506 -1.294 20 0 GAADLO COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001331235405 1074989180 /nfs/dbraw/zinc/98/91/80/1074989180.db2.gz ZZGJNOSPVFJLHL-UHFFFAOYSA-N 1 2 376.479 -1.729 20 0 GAADLO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001331395939 1074992156 /nfs/dbraw/zinc/99/21/56/1074992156.db2.gz JFNIITUFAYQQPV-CXAGYDPISA-N 1 2 387.433 -2.072 20 0 GAADLO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001331395940 1074992070 /nfs/dbraw/zinc/99/20/70/1074992070.db2.gz JFNIITUFAYQQPV-DYVFJYSZSA-N 1 2 387.433 -2.072 20 0 GAADLO COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001331395941 1074992166 /nfs/dbraw/zinc/99/21/66/1074992166.db2.gz JFNIITUFAYQQPV-GUYCJALGSA-N 1 2 387.433 -2.072 20 0 GAADLO COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001331395942 1074992105 /nfs/dbraw/zinc/99/21/05/1074992105.db2.gz JFNIITUFAYQQPV-SUMWQHHRSA-N 1 2 387.433 -2.072 20 0 GAADLO NS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC001331490465 1074994926 /nfs/dbraw/zinc/99/49/26/1074994926.db2.gz SBEZXWSRNDVJGW-UHFFFAOYSA-N 1 2 399.473 -1.179 20 0 GAADLO CN1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC001331518680 1074995088 /nfs/dbraw/zinc/99/50/88/1074995088.db2.gz JMGOACBZTUQBEW-AWEZNQCLSA-N 1 2 378.433 -1.109 20 0 GAADLO CN1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC001331518684 1074994983 /nfs/dbraw/zinc/99/49/83/1074994983.db2.gz JMGOACBZTUQBEW-CQSZACIVSA-N 1 2 378.433 -1.109 20 0 GAADLO C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CN(C)CC[N@H+]1C ZINC001331612030 1074998573 /nfs/dbraw/zinc/99/85/73/1074998573.db2.gz JNSHPQSQFCAALB-NEPJUHHUSA-N 1 2 377.449 -1.816 20 0 GAADLO C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001331612030 1074998569 /nfs/dbraw/zinc/99/85/69/1074998569.db2.gz JNSHPQSQFCAALB-NEPJUHHUSA-N 1 2 377.449 -1.816 20 0 GAADLO C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CN(C)CC[N@H+]1C ZINC001331612031 1074998636 /nfs/dbraw/zinc/99/86/36/1074998636.db2.gz JNSHPQSQFCAALB-NWDGAFQWSA-N 1 2 377.449 -1.816 20 0 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VMJRMBCMTFHIBS-JYJNAYRXSA-N 1 2 377.445 -1.024 20 0 GAADLO O=C([C@@H]1C[C@@H](O)CN1c1ccncn1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001333426546 1075032683 /nfs/dbraw/zinc/03/26/83/1075032683.db2.gz VMJRMBCMTFHIBS-OAGGEKHMSA-N 1 2 377.445 -1.024 20 0 GAADLO O=C([C@@H]1C[C@@H](O)CN1c1ccncn1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001333426549 1075032611 /nfs/dbraw/zinc/03/26/11/1075032611.db2.gz VMJRMBCMTFHIBS-PMPSAXMXSA-N 1 2 377.445 -1.024 20 0 GAADLO O=C([C@@H]1C[C@H](O)CN1c1ccncn1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001333426552 1075032709 /nfs/dbraw/zinc/03/27/09/1075032709.db2.gz VMJRMBCMTFHIBS-XHSDSOJGSA-N 1 2 377.445 -1.024 20 0 GAADLO O=S1(=O)CCCN1CCN1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCS1(=O)=O ZINC001333436609 1075033039 /nfs/dbraw/zinc/03/30/39/1075033039.db2.gz ACVMRRYPVVDUTL-GJZGRUSLSA-N 1 2 392.547 -1.184 20 0 GAADLO O=S1(=O)CCCN1CCN1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCS1(=O)=O ZINC001333436609 1075033035 /nfs/dbraw/zinc/03/30/35/1075033035.db2.gz ACVMRRYPVVDUTL-GJZGRUSLSA-N 1 2 392.547 -1.184 20 0 GAADLO Cc1nc(N2CCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)CC2)cc[nH+]1 ZINC001333820815 1075037628 /nfs/dbraw/zinc/03/76/28/1075037628.db2.gz SHSMXJFOVMDQDA-UHFFFAOYSA-N 1 2 398.489 -1.169 20 0 GAADLO CN(C)C(=O)CN1CCN(C(=O)Cn2cc(C[NH+]3CCC(O)CC3)nn2)CC1 ZINC001333857734 1075038343 /nfs/dbraw/zinc/03/83/43/1075038343.db2.gz GYQRFVLPQPDCDN-UHFFFAOYSA-N 1 2 393.492 -1.533 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C[C@H](O)CO)c1 ZINC001334069972 1075040395 /nfs/dbraw/zinc/04/03/95/1075040395.db2.gz KKKFAYPWMQLMQS-CABCVRRESA-N 1 2 381.433 -2.101 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C[C@H](O)CO)c1 ZINC001334069973 1075040293 /nfs/dbraw/zinc/04/02/93/1075040293.db2.gz KKKFAYPWMQLMQS-GJZGRUSLSA-N 1 2 381.433 -2.101 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C[C@@H](O)CO)c1 ZINC001334069974 1075040336 /nfs/dbraw/zinc/04/03/36/1075040336.db2.gz KKKFAYPWMQLMQS-HUUCEWRRSA-N 1 2 381.433 -2.101 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn(C[C@@H](O)CO)c1 ZINC001334069975 1075040281 /nfs/dbraw/zinc/04/02/81/1075040281.db2.gz KKKFAYPWMQLMQS-LSDHHAIUSA-N 1 2 381.433 -2.101 20 0 GAADLO CN1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCC1=O ZINC001334071767 1075040318 /nfs/dbraw/zinc/04/03/18/1075040318.db2.gz VLXRRMQFHGOGMB-UHFFFAOYSA-N 1 2 388.490 -1.698 20 0 GAADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001334092697 1075040719 /nfs/dbraw/zinc/04/07/19/1075040719.db2.gz HQWLZOOJPVZDNL-CVEARBPZSA-N 1 2 394.472 -1.184 20 0 GAADLO COC(=O)[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001334348779 1075043211 /nfs/dbraw/zinc/04/32/11/1075043211.db2.gz OAGQRACTOLAWJM-AULYBMBSSA-N 1 2 389.474 -1.321 20 0 GAADLO O=C(NCCNC(=O)C1CC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334436399 1075043507 /nfs/dbraw/zinc/04/35/07/1075043507.db2.gz HAEQOTHDTWJRGU-UHFFFAOYSA-N 1 2 378.433 -1.204 20 0 GAADLO CCN1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1=O ZINC001334471036 1075043962 /nfs/dbraw/zinc/04/39/62/1075043962.db2.gz YVSSVAPEIYSHLV-HNNXBMFYSA-N 1 2 384.477 -1.081 20 0 GAADLO CCN1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C1=O ZINC001334471037 1075043980 /nfs/dbraw/zinc/04/39/80/1075043980.db2.gz YVSSVAPEIYSHLV-OAHLLOKOSA-N 1 2 384.477 -1.081 20 0 GAADLO C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334539461 1075044354 /nfs/dbraw/zinc/04/43/54/1075044354.db2.gz LMPCOTUNBVDMQK-DZGCQCFKSA-N 1 2 381.433 -1.238 20 0 GAADLO C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334539462 1075044210 /nfs/dbraw/zinc/04/42/10/1075044210.db2.gz LMPCOTUNBVDMQK-HIFRSBDPSA-N 1 2 381.433 -1.238 20 0 GAADLO C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334539463 1075044246 /nfs/dbraw/zinc/04/42/46/1075044246.db2.gz LMPCOTUNBVDMQK-UKRRQHHQSA-N 1 2 381.433 -1.238 20 0 GAADLO C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334539464 1075044253 /nfs/dbraw/zinc/04/42/53/1075044253.db2.gz LMPCOTUNBVDMQK-ZFWWWQNUSA-N 1 2 381.433 -1.238 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC2(S(=O)(=O)N(C)C)CC2)CC1 ZINC001334705219 1075045897 /nfs/dbraw/zinc/04/58/97/1075045897.db2.gz FYMVVCOOHFRQFI-UHFFFAOYSA-N 1 2 390.506 -1.293 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC001334931883 1075048039 /nfs/dbraw/zinc/04/80/39/1075048039.db2.gz HVEIYPYFGWAZTD-CYBMUJFWSA-N 1 2 377.463 -1.951 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC001334931884 1075048147 /nfs/dbraw/zinc/04/81/47/1075048147.db2.gz HVEIYPYFGWAZTD-ZDUSSCGKSA-N 1 2 377.463 -1.951 20 0 GAADLO COC(=O)[C@]1(N2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)CCOC1 ZINC001334975630 1075049200 /nfs/dbraw/zinc/04/92/00/1075049200.db2.gz MSQDLSQOZNAPDD-IBGZPJMESA-N 1 2 394.472 -1.231 20 0 GAADLO COC(=O)[C@@]1(N2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)CCOC1 ZINC001334975633 1075049209 /nfs/dbraw/zinc/04/92/09/1075049209.db2.gz MSQDLSQOZNAPDD-LJQANCHMSA-N 1 2 394.472 -1.231 20 0 GAADLO NC(=O)c1cn(C2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)nn1 ZINC001334975808 1075049249 /nfs/dbraw/zinc/04/92/49/1075049249.db2.gz PALSUSJWTDKNPO-UHFFFAOYSA-N 1 2 375.433 -1.153 20 0 GAADLO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001335027133 1075050797 /nfs/dbraw/zinc/05/07/97/1075050797.db2.gz TTWZPXFNXVLOLG-GFCCVEGCSA-N 1 2 379.417 -1.078 20 0 GAADLO COC(=O)CCNC(=O)CCNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001335027134 1075050755 /nfs/dbraw/zinc/05/07/55/1075050755.db2.gz TTWZPXFNXVLOLG-LBPRGKRZSA-N 1 2 379.417 -1.078 20 0 GAADLO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001335043065 1075051611 /nfs/dbraw/zinc/05/16/11/1075051611.db2.gz ACRGUHUOSBVWTE-OWCLPIDISA-N 1 2 382.461 -1.925 20 0 GAADLO CC(=O)N1C[C@@H]2CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001335043082 1075051648 /nfs/dbraw/zinc/05/16/48/1075051648.db2.gz ACRGUHUOSBVWTE-XHSDSOJGSA-N 1 2 382.461 -1.925 20 0 GAADLO CC(C)(CNC(=O)CN1CCN(CCS(N)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001335059374 1075052204 /nfs/dbraw/zinc/05/22/04/1075052204.db2.gz FEDDQNINFHLCIB-UHFFFAOYSA-N 1 2 391.538 -1.881 20 0 GAADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCC(=O)N1CCCC1 ZINC001335062117 1075052229 /nfs/dbraw/zinc/05/22/29/1075052229.db2.gz RDNHMVILSGQKIE-KBPBESRZSA-N 1 2 388.490 -2.188 20 0 GAADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCC(=O)N1CCCC1 ZINC001335062118 1075052210 /nfs/dbraw/zinc/05/22/10/1075052210.db2.gz RDNHMVILSGQKIE-KGLIPLIRSA-N 1 2 388.490 -2.188 20 0 GAADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCC(=O)N1CCCC1 ZINC001335062119 1075052222 /nfs/dbraw/zinc/05/22/22/1075052222.db2.gz RDNHMVILSGQKIE-UONOGXRCSA-N 1 2 388.490 -2.188 20 0 GAADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCC(=O)N1CCCC1 ZINC001335062120 1075052180 /nfs/dbraw/zinc/05/21/80/1075052180.db2.gz RDNHMVILSGQKIE-ZIAGYGMSSA-N 1 2 388.490 -2.188 20 0 GAADLO NS(=O)(=O)CCN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001335062758 1075052441 /nfs/dbraw/zinc/05/24/41/1075052441.db2.gz XKILFAZXKLQNEM-UHFFFAOYSA-N 1 2 392.503 -1.381 20 0 GAADLO NS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001335129741 1075053286 /nfs/dbraw/zinc/05/32/86/1075053286.db2.gz XFUXGZXMLDXYHE-UHFFFAOYSA-N 1 2 383.478 -1.617 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335179115 1075054246 /nfs/dbraw/zinc/05/42/46/1075054246.db2.gz SPCIPZUPTXJCCT-KBPBESRZSA-N 1 2 375.491 -1.063 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335179115 1075054241 /nfs/dbraw/zinc/05/42/41/1075054241.db2.gz SPCIPZUPTXJCCT-KBPBESRZSA-N 1 2 375.491 -1.063 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335179116 1075054265 /nfs/dbraw/zinc/05/42/65/1075054265.db2.gz SPCIPZUPTXJCCT-KGLIPLIRSA-N 1 2 375.491 -1.063 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335179116 1075054262 /nfs/dbraw/zinc/05/42/62/1075054262.db2.gz SPCIPZUPTXJCCT-KGLIPLIRSA-N 1 2 375.491 -1.063 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001335179117 1075054297 /nfs/dbraw/zinc/05/42/97/1075054297.db2.gz SPCIPZUPTXJCCT-UONOGXRCSA-N 1 2 375.491 -1.063 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335179117 1075054294 /nfs/dbraw/zinc/05/42/94/1075054294.db2.gz SPCIPZUPTXJCCT-UONOGXRCSA-N 1 2 375.491 -1.063 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001335179118 1075054318 /nfs/dbraw/zinc/05/43/18/1075054318.db2.gz SPCIPZUPTXJCCT-ZIAGYGMSSA-N 1 2 375.491 -1.063 20 0 GAADLO CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335179118 1075054315 /nfs/dbraw/zinc/05/43/15/1075054315.db2.gz SPCIPZUPTXJCCT-ZIAGYGMSSA-N 1 2 375.491 -1.063 20 0 GAADLO CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001335300699 1075056437 /nfs/dbraw/zinc/05/64/37/1075056437.db2.gz LYLNIRHWAXBCKN-LBPRGKRZSA-N 1 2 382.421 -1.322 20 0 GAADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001335301014 1075056500 /nfs/dbraw/zinc/05/65/00/1075056500.db2.gz QABPSAYGYBINMA-TZMCWYRMSA-N 1 2 377.401 -1.215 20 0 GAADLO NC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC001335301382 1075056532 /nfs/dbraw/zinc/05/65/32/1075056532.db2.gz SLYOQURPLURIDL-AWEZNQCLSA-N 1 2 394.432 -1.743 20 0 GAADLO NC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC001335301383 1075056395 /nfs/dbraw/zinc/05/63/95/1075056395.db2.gz SLYOQURPLURIDL-CQSZACIVSA-N 1 2 394.432 -1.743 20 0 GAADLO O=C(c1cccn1CC[NH+]1CCOCC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001335322673 1075056864 /nfs/dbraw/zinc/05/68/64/1075056864.db2.gz BZXVDDQUYCIGRF-AWEZNQCLSA-N 1 2 383.474 -1.205 20 0 GAADLO O=C(c1cccn1CC[NH+]1CCOCC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001335322674 1075056795 /nfs/dbraw/zinc/05/67/95/1075056795.db2.gz BZXVDDQUYCIGRF-CQSZACIVSA-N 1 2 383.474 -1.205 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC001335472918 1075058196 /nfs/dbraw/zinc/05/81/96/1075058196.db2.gz DJQHXYZDVOEPAN-AWEZNQCLSA-N 1 2 391.490 -1.561 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC001335472919 1075058255 /nfs/dbraw/zinc/05/82/55/1075058255.db2.gz DJQHXYZDVOEPAN-CQSZACIVSA-N 1 2 391.490 -1.561 20 0 GAADLO CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)[NH+]1CCOCC1 ZINC001335480401 1075058230 /nfs/dbraw/zinc/05/82/30/1075058230.db2.gz WVFOZSVKQKCVJZ-QLFBSQMISA-N 1 2 387.502 -1.038 20 0 GAADLO CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)[NH+]1CCOCC1 ZINC001335480422 1075058221 /nfs/dbraw/zinc/05/82/21/1075058221.db2.gz WVFOZSVKQKCVJZ-ZNMIVQPWSA-N 1 2 387.502 -1.038 20 0 GAADLO CN(C)C1CN(S(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)C1 ZINC001335531235 1075058532 /nfs/dbraw/zinc/05/85/32/1075058532.db2.gz ZGSYWEVNDRSCNX-UHFFFAOYSA-N 1 2 382.552 -1.082 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001335591354 1075059475 /nfs/dbraw/zinc/05/94/75/1075059475.db2.gz XKZLSDYGQYDFAI-KBPBESRZSA-N 1 2 378.495 -1.398 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001335591357 1075059470 /nfs/dbraw/zinc/05/94/70/1075059470.db2.gz XKZLSDYGQYDFAI-KGLIPLIRSA-N 1 2 378.495 -1.398 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001335591359 1075059458 /nfs/dbraw/zinc/05/94/58/1075059458.db2.gz XKZLSDYGQYDFAI-UONOGXRCSA-N 1 2 378.495 -1.398 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC001335591361 1075059492 /nfs/dbraw/zinc/05/94/92/1075059492.db2.gz XKZLSDYGQYDFAI-ZIAGYGMSSA-N 1 2 378.495 -1.398 20 0 GAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)CC1 ZINC001335935945 1075061830 /nfs/dbraw/zinc/06/18/30/1075061830.db2.gz GRCLLSLPEHFIFV-RRQGHBQHSA-N 1 2 387.502 -1.205 20 0 GAADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001336022197 1075061712 /nfs/dbraw/zinc/06/17/12/1075061712.db2.gz DZCMOKIHOOELAG-UHFFFAOYSA-N 1 2 384.506 -1.063 20 0 GAADLO CN1C(=O)NC2(CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C1=O ZINC001336051044 1075061792 /nfs/dbraw/zinc/06/17/92/1075061792.db2.gz KRCOEYUDNUDYRX-UHFFFAOYSA-N 1 2 378.389 -2.135 20 0 GAADLO COC1(C(F)(F)F)CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001336605492 1075067348 /nfs/dbraw/zinc/06/73/48/1075067348.db2.gz RYBIMWJWWFDQTR-LLVKDONJSA-N 1 2 383.367 -1.072 20 0 GAADLO COC1(C(F)(F)F)CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001336605495 1075067252 /nfs/dbraw/zinc/06/72/52/1075067252.db2.gz RYBIMWJWWFDQTR-NSHDSACASA-N 1 2 383.367 -1.072 20 0 GAADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC001337592429 1075070369 /nfs/dbraw/zinc/07/03/69/1075070369.db2.gz XUIVVMWCWBHQSG-UHFFFAOYSA-N 1 2 381.437 -1.515 20 0 GAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC001337741540 1075070919 /nfs/dbraw/zinc/07/09/19/1075070919.db2.gz OIVOEYPTLYJYLG-UHFFFAOYSA-N 1 2 376.479 -1.084 20 0 GAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 ZINC001338073382 1075072360 /nfs/dbraw/zinc/07/23/60/1075072360.db2.gz BYARFZJEFNOUMZ-UHFFFAOYSA-N 1 2 384.524 -1.602 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001338090525 1075072577 /nfs/dbraw/zinc/07/25/77/1075072577.db2.gz WRFDEZCESIAXPL-UHFFFAOYSA-N 1 2 390.444 -1.511 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001338126687 1075072859 /nfs/dbraw/zinc/07/28/59/1075072859.db2.gz UNDDOYFERYRUKW-QLFBSQMISA-N 1 2 385.486 -1.187 20 0 GAADLO O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001338126688 1075072841 /nfs/dbraw/zinc/07/28/41/1075072841.db2.gz UNDDOYFERYRUKW-ZNMIVQPWSA-N 1 2 385.486 -1.187 20 0 GAADLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C)C1 ZINC001338489207 1075074626 /nfs/dbraw/zinc/07/46/26/1075074626.db2.gz DPSYWBYBLJKXDF-CHWSQXEVSA-N 1 2 377.449 -1.256 20 0 GAADLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C)C1 ZINC001338489207 1075074621 /nfs/dbraw/zinc/07/46/21/1075074621.db2.gz DPSYWBYBLJKXDF-CHWSQXEVSA-N 1 2 377.449 -1.256 20 0 GAADLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C)C1 ZINC001338489209 1075074711 /nfs/dbraw/zinc/07/47/11/1075074711.db2.gz DPSYWBYBLJKXDF-OLZOCXBDSA-N 1 2 377.449 -1.256 20 0 GAADLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C)C1 ZINC001338489209 1075074708 /nfs/dbraw/zinc/07/47/08/1075074708.db2.gz DPSYWBYBLJKXDF-OLZOCXBDSA-N 1 2 377.449 -1.256 20 0 GAADLO CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C)C1 ZINC001338489210 1075074761 /nfs/dbraw/zinc/07/47/61/1075074761.db2.gz DPSYWBYBLJKXDF-QWHCGFSZSA-N 1 2 377.449 -1.256 20 0 GAADLO CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C)C1 ZINC001338489210 1075074758 /nfs/dbraw/zinc/07/47/58/1075074758.db2.gz DPSYWBYBLJKXDF-QWHCGFSZSA-N 1 2 377.449 -1.256 20 0 GAADLO CC(C)[N@H+]1CCO[C@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C)C1 ZINC001338489211 1075074783 /nfs/dbraw/zinc/07/47/83/1075074783.db2.gz DPSYWBYBLJKXDF-STQMWFEESA-N 1 2 377.449 -1.256 20 0 GAADLO CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C)C1 ZINC001338489211 1075074780 /nfs/dbraw/zinc/07/47/80/1075074780.db2.gz DPSYWBYBLJKXDF-STQMWFEESA-N 1 2 377.449 -1.256 20 0 GAADLO Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001338672265 1075076077 /nfs/dbraw/zinc/07/60/77/1075076077.db2.gz WMGMBIZVNLBDJS-IHRRRGAJSA-N 1 2 389.460 -1.112 20 0 GAADLO Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001338672265 1075076076 /nfs/dbraw/zinc/07/60/76/1075076076.db2.gz WMGMBIZVNLBDJS-IHRRRGAJSA-N 1 2 389.460 -1.112 20 0 GAADLO Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001338672266 1075076122 /nfs/dbraw/zinc/07/61/22/1075076122.db2.gz WMGMBIZVNLBDJS-MCIONIFRSA-N 1 2 389.460 -1.112 20 0 GAADLO Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001338672266 1075076118 /nfs/dbraw/zinc/07/61/18/1075076118.db2.gz WMGMBIZVNLBDJS-MCIONIFRSA-N 1 2 389.460 -1.112 20 0 GAADLO Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001338672267 1075076069 /nfs/dbraw/zinc/07/60/69/1075076069.db2.gz WMGMBIZVNLBDJS-MJBXVCDLSA-N 1 2 389.460 -1.112 20 0 GAADLO Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001338672267 1075076067 /nfs/dbraw/zinc/07/60/67/1075076067.db2.gz WMGMBIZVNLBDJS-MJBXVCDLSA-N 1 2 389.460 -1.112 20 0 GAADLO Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001338672268 1075076140 /nfs/dbraw/zinc/07/61/40/1075076140.db2.gz WMGMBIZVNLBDJS-RDBSUJKOSA-N 1 2 389.460 -1.112 20 0 GAADLO Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001338672268 1075076137 /nfs/dbraw/zinc/07/61/37/1075076137.db2.gz WMGMBIZVNLBDJS-RDBSUJKOSA-N 1 2 389.460 -1.112 20 0 GAADLO CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001338705628 1075076458 /nfs/dbraw/zinc/07/64/58/1075076458.db2.gz AYGCOJGAKIIAKO-KRWDZBQOSA-N 1 2 397.432 -1.416 20 0 GAADLO CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001338705630 1075076424 /nfs/dbraw/zinc/07/64/24/1075076424.db2.gz AYGCOJGAKIIAKO-QGZVFWFLSA-N 1 2 397.432 -1.416 20 0 GAADLO COCCn1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1=O ZINC001338708323 1075076404 /nfs/dbraw/zinc/07/64/04/1075076404.db2.gz NRQQDXUGZPAJBH-HNNXBMFYSA-N 1 2 396.444 -1.415 20 0 GAADLO COCCn1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1=O ZINC001338708326 1075076351 /nfs/dbraw/zinc/07/63/51/1075076351.db2.gz NRQQDXUGZPAJBH-OAHLLOKOSA-N 1 2 396.444 -1.415 20 0 GAADLO COC(=O)[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001338747037 1075077147 /nfs/dbraw/zinc/07/71/47/1075077147.db2.gz PFLGNXWTUSHBSO-OKILXGFUSA-N 1 2 388.490 -1.178 20 0 GAADLO Cn1c2ncn(CC(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)c2c(=O)n(C)c1=O ZINC001339002511 1075078056 /nfs/dbraw/zinc/07/80/56/1075078056.db2.gz IOPNMVSNGJOJIO-JTQLQIEISA-N 1 2 377.405 -2.500 20 0 GAADLO Cn1c2ncn(CC(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)c2c(=O)n(C)c1=O ZINC001339002511 1075078051 /nfs/dbraw/zinc/07/80/51/1075078051.db2.gz IOPNMVSNGJOJIO-JTQLQIEISA-N 1 2 377.405 -2.500 20 0 GAADLO Cn1c2ncn(CC(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)c2c(=O)n(C)c1=O ZINC001339002512 1075078029 /nfs/dbraw/zinc/07/80/29/1075078029.db2.gz IOPNMVSNGJOJIO-SNVBAGLBSA-N 1 2 377.405 -2.500 20 0 GAADLO Cn1c2ncn(CC(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)c2c(=O)n(C)c1=O ZINC001339002512 1075078025 /nfs/dbraw/zinc/07/80/25/1075078025.db2.gz IOPNMVSNGJOJIO-SNVBAGLBSA-N 1 2 377.405 -2.500 20 0 GAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001339002974 1075078113 /nfs/dbraw/zinc/07/81/13/1075078113.db2.gz NSNREIBJMKVNMB-AGIUHOORSA-N 1 2 386.474 -1.912 20 0 GAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001339002974 1075078110 /nfs/dbraw/zinc/07/81/10/1075078110.db2.gz NSNREIBJMKVNMB-AGIUHOORSA-N 1 2 386.474 -1.912 20 0 GAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001339002975 1075078005 /nfs/dbraw/zinc/07/80/05/1075078005.db2.gz NSNREIBJMKVNMB-AVGNSLFASA-N 1 2 386.474 -1.912 20 0 GAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001339002975 1075078001 /nfs/dbraw/zinc/07/80/01/1075078001.db2.gz NSNREIBJMKVNMB-AVGNSLFASA-N 1 2 386.474 -1.912 20 0 GAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001339002976 1075078093 /nfs/dbraw/zinc/07/80/93/1075078093.db2.gz NSNREIBJMKVNMB-FRRDWIJNSA-N 1 2 386.474 -1.912 20 0 GAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001339002976 1075078090 /nfs/dbraw/zinc/07/80/90/1075078090.db2.gz NSNREIBJMKVNMB-FRRDWIJNSA-N 1 2 386.474 -1.912 20 0 GAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001339002977 1075078105 /nfs/dbraw/zinc/07/81/05/1075078105.db2.gz NSNREIBJMKVNMB-RWMBFGLXSA-N 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COCCOC[C@H]1CC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001339642517 1075080050 /nfs/dbraw/zinc/08/00/50/1075080050.db2.gz MXGHOBRPXAIMQZ-QWHCGFSZSA-N 1 2 377.463 -1.016 20 0 GAADLO COCCOC[C@H]1CC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001339642517 1075080045 /nfs/dbraw/zinc/08/00/45/1075080045.db2.gz MXGHOBRPXAIMQZ-QWHCGFSZSA-N 1 2 377.463 -1.016 20 0 GAADLO COCCOC[C@H]1CC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001339642519 1075079936 /nfs/dbraw/zinc/07/99/36/1075079936.db2.gz MXGHOBRPXAIMQZ-STQMWFEESA-N 1 2 377.463 -1.016 20 0 GAADLO COCCOC[C@H]1CC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC001339642519 1075079931 /nfs/dbraw/zinc/07/99/31/1075079931.db2.gz MXGHOBRPXAIMQZ-STQMWFEESA-N 1 2 377.463 -1.016 20 0 GAADLO O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001340156777 1075081910 /nfs/dbraw/zinc/08/19/10/1075081910.db2.gz CEQBKTQSWJVDQI-UHFFFAOYSA-N 1 2 378.433 -1.014 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 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CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490680895 1075434656 /nfs/dbraw/zinc/43/46/56/1075434656.db2.gz YRVWOXSDYIWQKU-SSKLVLDBSA-N 1 2 396.473 -1.185 20 0 GAADLO CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490680895 1075434651 /nfs/dbraw/zinc/43/46/51/1075434651.db2.gz YRVWOXSDYIWQKU-SSKLVLDBSA-N 1 2 396.473 -1.185 20 0 GAADLO COCCS(=O)(=O)CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC001538426714 1075300947 /nfs/dbraw/zinc/30/09/47/1075300947.db2.gz SDJNTOTVCBRRNW-UHFFFAOYSA-N 1 2 379.479 -1.703 20 0 GAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001546050610 1075256397 /nfs/dbraw/zinc/25/63/97/1075256397.db2.gz ZANFBOBXHKIKJS-BXUZGUMPSA-N 1 2 399.473 -1.017 20 0 GAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001546050611 1075256330 /nfs/dbraw/zinc/25/63/30/1075256330.db2.gz ZANFBOBXHKIKJS-FZMZJTMJSA-N 1 2 399.473 -1.017 20 0 GAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001546050612 1075256292 /nfs/dbraw/zinc/25/62/92/1075256292.db2.gz ZANFBOBXHKIKJS-RISCZKNCSA-N 1 2 399.473 -1.017 20 0 GAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001546050613 1075256315 /nfs/dbraw/zinc/25/63/15/1075256315.db2.gz ZANFBOBXHKIKJS-SMDDNHRTSA-N 1 2 399.473 -1.017 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571114184 952450000 /nfs/dbraw/zinc/45/00/00/952450000.db2.gz CYUAIVROWFPSDO-GRYCIOLGSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571114184 952449996 /nfs/dbraw/zinc/44/99/96/952449996.db2.gz CYUAIVROWFPSDO-GRYCIOLGSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571114187 952450658 /nfs/dbraw/zinc/45/06/58/952450658.db2.gz CYUAIVROWFPSDO-WOPDTQHZSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571114187 952450655 /nfs/dbraw/zinc/45/06/55/952450655.db2.gz CYUAIVROWFPSDO-WOPDTQHZSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001571115062 952464324 /nfs/dbraw/zinc/46/43/24/952464324.db2.gz RDXYIDCQHHAEIN-IJLUTSLNSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001571115062 952464321 /nfs/dbraw/zinc/46/43/21/952464321.db2.gz RDXYIDCQHHAEIN-IJLUTSLNSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001571115063 952464136 /nfs/dbraw/zinc/46/41/36/952464136.db2.gz RDXYIDCQHHAEIN-UTUOFQBUSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001571115063 952464133 /nfs/dbraw/zinc/46/41/33/952464133.db2.gz RDXYIDCQHHAEIN-UTUOFQBUSA-N 1 2 375.393 -2.347 20 0 GAADLO CC[N@H+]1CC[C@@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571115241 952465356 /nfs/dbraw/zinc/46/53/56/952465356.db2.gz SKSGTLKAFOFOKO-SECBINFHSA-N 1 2 375.393 -1.211 20 0 GAADLO CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571115241 952465353 /nfs/dbraw/zinc/46/53/53/952465353.db2.gz SKSGTLKAFOFOKO-SECBINFHSA-N 1 2 375.393 -1.211 20 0 GAADLO CC[N@H+]1CC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571115244 952465327 /nfs/dbraw/zinc/46/53/27/952465327.db2.gz SKSGTLKAFOFOKO-VIFPVBQESA-N 1 2 375.393 -1.211 20 0 GAADLO CC[N@@H+]1CC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571115244 952465324 /nfs/dbraw/zinc/46/53/24/952465324.db2.gz SKSGTLKAFOFOKO-VIFPVBQESA-N 1 2 375.393 -1.211 20 0 GAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124399 952538817 /nfs/dbraw/zinc/53/88/17/952538817.db2.gz HRMVNMCFBVWWGD-BJOHPYRUSA-N 1 2 377.409 -1.180 20 0 GAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124399 952538812 /nfs/dbraw/zinc/53/88/12/952538812.db2.gz HRMVNMCFBVWWGD-BJOHPYRUSA-N 1 2 377.409 -1.180 20 0 GAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124400 952539006 /nfs/dbraw/zinc/53/90/06/952539006.db2.gz HRMVNMCFBVWWGD-PSLIRLAXSA-N 1 2 377.409 -1.180 20 0 GAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124400 952539005 /nfs/dbraw/zinc/53/90/05/952539005.db2.gz HRMVNMCFBVWWGD-PSLIRLAXSA-N 1 2 377.409 -1.180 20 0 GAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124401 952539041 /nfs/dbraw/zinc/53/90/41/952539041.db2.gz HRMVNMCFBVWWGD-RFAUZJTJSA-N 1 2 377.409 -1.180 20 0 GAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124401 952539039 /nfs/dbraw/zinc/53/90/39/952539039.db2.gz HRMVNMCFBVWWGD-RFAUZJTJSA-N 1 2 377.409 -1.180 20 0 GAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124402 952538274 /nfs/dbraw/zinc/53/82/74/952538274.db2.gz HRMVNMCFBVWWGD-VFZGTOFNSA-N 1 2 377.409 -1.180 20 0 GAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 ZINC001571124402 952538270 /nfs/dbraw/zinc/53/82/70/952538270.db2.gz HRMVNMCFBVWWGD-VFZGTOFNSA-N 1 2 377.409 -1.180 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001571129661 952576787 /nfs/dbraw/zinc/57/67/87/952576787.db2.gz HFRNTAYXFSGXNV-JTQLQIEISA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001571129661 952576781 /nfs/dbraw/zinc/57/67/81/952576781.db2.gz HFRNTAYXFSGXNV-JTQLQIEISA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001571129662 952576255 /nfs/dbraw/zinc/57/62/55/952576255.db2.gz HFRNTAYXFSGXNV-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001571129662 952576253 /nfs/dbraw/zinc/57/62/53/952576253.db2.gz HFRNTAYXFSGXNV-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO C[NH+]1CCC(CCO)(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571129944 952577814 /nfs/dbraw/zinc/57/78/14/952577814.db2.gz LRYSYSOYTXSVEA-UHFFFAOYSA-N 1 2 378.393 -1.908 20 0 GAADLO C[NH+]1CCC(OCC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571130491 952580657 /nfs/dbraw/zinc/58/06/57/952580657.db2.gz RRYOXXNDVLPNKA-UHFFFAOYSA-N 1 2 378.393 -1.644 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571130740 952581438 /nfs/dbraw/zinc/58/14/38/952581438.db2.gz WCEZSNPZEADUKK-JTQLQIEISA-N 1 2 378.393 -1.787 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571130741 952581848 /nfs/dbraw/zinc/58/18/48/952581848.db2.gz WCEZSNPZEADUKK-SNVBAGLBSA-N 1 2 378.393 -1.787 20 0 GAADLO COCCN(CC[NH+](C)C)C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571155569 952698831 /nfs/dbraw/zinc/69/88/31/952698831.db2.gz WXBJPTSQLXMYEK-UHFFFAOYSA-N 1 2 380.409 -1.444 20 0 GAADLO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001571237967 953224346 /nfs/dbraw/zinc/22/43/46/953224346.db2.gz PFITVNRIQKCTGJ-VXGBXAGGSA-N 1 2 384.404 -1.219 20 0 GAADLO CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001571238445 953228883 /nfs/dbraw/zinc/22/88/83/953228883.db2.gz CNNPJMFRQXSMMA-CHWSQXEVSA-N 1 2 384.404 -1.047 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001571238579 953230910 /nfs/dbraw/zinc/23/09/10/953230910.db2.gz HJWKMFAXDSTOLZ-AAEUAGOBSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001571238580 953230717 /nfs/dbraw/zinc/23/07/17/953230717.db2.gz HJWKMFAXDSTOLZ-DGCLKSJQSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001571238581 953230671 /nfs/dbraw/zinc/23/06/71/953230671.db2.gz HJWKMFAXDSTOLZ-WCQYABFASA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001571238582 953230961 /nfs/dbraw/zinc/23/09/61/953230961.db2.gz HJWKMFAXDSTOLZ-YPMHNXCESA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)nc1=O ZINC001571239285 953237718 /nfs/dbraw/zinc/23/77/18/953237718.db2.gz SIVMDZRHXSVVDW-RTCCRHLQSA-N 1 2 384.404 -1.276 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)nc1=O ZINC001571239285 953237716 /nfs/dbraw/zinc/23/77/16/953237716.db2.gz SIVMDZRHXSVVDW-RTCCRHLQSA-N 1 2 384.404 -1.276 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001571239785 953243138 /nfs/dbraw/zinc/24/31/38/953243138.db2.gz XUTAIHMKMPBQIF-AAEUAGOBSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001571239786 953242595 /nfs/dbraw/zinc/24/25/95/953242595.db2.gz XUTAIHMKMPBQIF-DGCLKSJQSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001571239787 953243161 /nfs/dbraw/zinc/24/31/61/953243161.db2.gz XUTAIHMKMPBQIF-WCQYABFASA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001571239788 953243165 /nfs/dbraw/zinc/24/31/65/953243165.db2.gz XUTAIHMKMPBQIF-YPMHNXCESA-N 1 2 384.404 -1.082 20 0 GAADLO CN(C(=O)CN1CCNC(=O)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571242857 953260995 /nfs/dbraw/zinc/26/09/95/953260995.db2.gz POSXPGIAEADREC-UHFFFAOYSA-N 1 2 384.444 -1.059 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571255003 953343935 /nfs/dbraw/zinc/34/39/35/953343935.db2.gz DPPGWZXKOJUKOG-CHWSQXEVSA-N 1 2 385.388 -1.528 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571256210 953365222 /nfs/dbraw/zinc/36/52/22/953365222.db2.gz QEYRPCLPLPNGAA-CHWSQXEVSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571256210 953365214 /nfs/dbraw/zinc/36/52/14/953365214.db2.gz QEYRPCLPLPNGAA-CHWSQXEVSA-N 1 2 385.388 -1.148 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001571260040 945406049 /nfs/dbraw/zinc/40/60/49/945406049.db2.gz NPTCEHHRAIXYOG-FVCCEPFGSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001571260040 945406046 /nfs/dbraw/zinc/40/60/46/945406046.db2.gz NPTCEHHRAIXYOG-FVCCEPFGSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001571260041 945406004 /nfs/dbraw/zinc/40/60/04/945406004.db2.gz NPTCEHHRAIXYOG-RVMXOQNASA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001571260041 945406001 /nfs/dbraw/zinc/40/60/01/945406001.db2.gz NPTCEHHRAIXYOG-RVMXOQNASA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]3C2)C1 ZINC001571260687 945422317 /nfs/dbraw/zinc/42/23/17/945422317.db2.gz ZMVOBMPVFBIGFP-MBNYWOFBSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]3C2)C1 ZINC001571260687 945422309 /nfs/dbraw/zinc/42/23/09/945422309.db2.gz ZMVOBMPVFBIGFP-MBNYWOFBSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]3C2)C1 ZINC001571260688 945423202 /nfs/dbraw/zinc/42/32/02/945423202.db2.gz ZMVOBMPVFBIGFP-SCRDCRAPSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]3C2)C1 ZINC001571260688 945423196 /nfs/dbraw/zinc/42/31/96/945423196.db2.gz ZMVOBMPVFBIGFP-SCRDCRAPSA-N 1 2 385.432 -1.118 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001571275535 945709219 /nfs/dbraw/zinc/70/92/19/945709219.db2.gz VWTMTWRKDLCVFK-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001571275535 945709213 /nfs/dbraw/zinc/70/92/13/945709213.db2.gz VWTMTWRKDLCVFK-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001571275589 945708317 /nfs/dbraw/zinc/70/83/17/945708317.db2.gz YDWUDBOJQSYPJP-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001571275589 945708311 /nfs/dbraw/zinc/70/83/11/945708311.db2.gz YDWUDBOJQSYPJP-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCNC(=O)C1 ZINC001571276259 945730916 /nfs/dbraw/zinc/73/09/16/945730916.db2.gz GGVGHBIXUBPUAB-LLVKDONJSA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCNC(=O)C1 ZINC001571276259 945730913 /nfs/dbraw/zinc/73/09/13/945730913.db2.gz GGVGHBIXUBPUAB-LLVKDONJSA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCNC(=O)C1 ZINC001571276260 945729573 /nfs/dbraw/zinc/72/95/73/945729573.db2.gz GGVGHBIXUBPUAB-NSHDSACASA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCNC(=O)C1 ZINC001571276260 945729567 /nfs/dbraw/zinc/72/95/67/945729567.db2.gz GGVGHBIXUBPUAB-NSHDSACASA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCNC(=O)C1 ZINC001571278111 945748802 /nfs/dbraw/zinc/74/88/02/945748802.db2.gz WCWCXXXXOCGMJP-LLVKDONJSA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCNC(=O)C1 ZINC001571278111 945748797 /nfs/dbraw/zinc/74/87/97/945748797.db2.gz WCWCXXXXOCGMJP-LLVKDONJSA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCNC(=O)C1 ZINC001571278112 945748520 /nfs/dbraw/zinc/74/85/20/945748520.db2.gz WCWCXXXXOCGMJP-NSHDSACASA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCNC(=O)C1 ZINC001571278112 945748513 /nfs/dbraw/zinc/74/85/13/945748513.db2.gz WCWCXXXXOCGMJP-NSHDSACASA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001571285506 945917955 /nfs/dbraw/zinc/91/79/55/945917955.db2.gz GYIFYHOHHNLYFE-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001571285506 945917941 /nfs/dbraw/zinc/91/79/41/945917941.db2.gz GYIFYHOHHNLYFE-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO C[NH+](C)CCn1ccc(C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)n1 ZINC001571285569 945921545 /nfs/dbraw/zinc/92/15/45/945921545.db2.gz ILESKXFMUXTFPC-UHFFFAOYSA-N 1 2 388.392 -1.683 20 0 GAADLO C[NH+](C)CCn1cc(C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)cn1 ZINC001571285600 945922726 /nfs/dbraw/zinc/92/27/26/945922726.db2.gz JPSZOPASSUQUPF-UHFFFAOYSA-N 1 2 388.392 -1.683 20 0 GAADLO CN1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286959 945966135 /nfs/dbraw/zinc/96/61/35/945966135.db2.gz WRXQAFSARJNMSI-DOMZBBRYSA-N 1 2 388.432 -1.086 20 0 GAADLO CN1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286960 945965859 /nfs/dbraw/zinc/96/58/59/945965859.db2.gz WRXQAFSARJNMSI-IUODEOHRSA-N 1 2 388.432 -1.086 20 0 GAADLO CN1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286961 945965474 /nfs/dbraw/zinc/96/54/74/945965474.db2.gz WRXQAFSARJNMSI-SWLSCSKDSA-N 1 2 388.432 -1.086 20 0 GAADLO CN1CCO[C@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286962 945964936 /nfs/dbraw/zinc/96/49/36/945964936.db2.gz WRXQAFSARJNMSI-WFASDCNBSA-N 1 2 388.432 -1.086 20 0 GAADLO CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001571291136 946068085 /nfs/dbraw/zinc/06/80/85/946068085.db2.gz CVNJXXBXDTYXNY-IJLUTSLNSA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001571291136 946068070 /nfs/dbraw/zinc/06/80/70/946068070.db2.gz CVNJXXBXDTYXNY-IJLUTSLNSA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001571291137 946070307 /nfs/dbraw/zinc/07/03/07/946070307.db2.gz CVNJXXBXDTYXNY-UTUOFQBUSA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001571291137 946070297 /nfs/dbraw/zinc/07/02/97/946070297.db2.gz CVNJXXBXDTYXNY-UTUOFQBUSA-N 1 2 389.420 -1.693 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001571291174 946071122 /nfs/dbraw/zinc/07/11/22/946071122.db2.gz FLOLPDHJRKAXMT-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001571291174 946071109 /nfs/dbraw/zinc/07/11/09/946071109.db2.gz FLOLPDHJRKAXMT-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291380 946076549 /nfs/dbraw/zinc/07/65/49/946076549.db2.gz ITNIFTIWRQAEBT-AAEUAGOBSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291380 946076535 /nfs/dbraw/zinc/07/65/35/946076535.db2.gz ITNIFTIWRQAEBT-AAEUAGOBSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291385 946073767 /nfs/dbraw/zinc/07/37/67/946073767.db2.gz ITNIFTIWRQAEBT-DGCLKSJQSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291385 946073754 /nfs/dbraw/zinc/07/37/54/946073754.db2.gz ITNIFTIWRQAEBT-DGCLKSJQSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291388 946075128 /nfs/dbraw/zinc/07/51/28/946075128.db2.gz ITNIFTIWRQAEBT-WCQYABFASA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291388 946075115 /nfs/dbraw/zinc/07/51/15/946075115.db2.gz ITNIFTIWRQAEBT-WCQYABFASA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291396 946074650 /nfs/dbraw/zinc/07/46/50/946074650.db2.gz ITNIFTIWRQAEBT-YPMHNXCESA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571291396 946074641 /nfs/dbraw/zinc/07/46/41/946074641.db2.gz ITNIFTIWRQAEBT-YPMHNXCESA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292184 946091254 /nfs/dbraw/zinc/09/12/54/946091254.db2.gz VDMXEAGCEMWXMF-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292184 946091238 /nfs/dbraw/zinc/09/12/38/946091238.db2.gz VDMXEAGCEMWXMF-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292185 946088874 /nfs/dbraw/zinc/08/88/74/946088874.db2.gz VDMXEAGCEMWXMF-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292185 946088859 /nfs/dbraw/zinc/08/88/59/946088859.db2.gz VDMXEAGCEMWXMF-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292186 946090925 /nfs/dbraw/zinc/09/09/25/946090925.db2.gz VDMXEAGCEMWXMF-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292186 946090915 /nfs/dbraw/zinc/09/09/15/946090915.db2.gz VDMXEAGCEMWXMF-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292187 946089547 /nfs/dbraw/zinc/08/95/47/946089547.db2.gz VDMXEAGCEMWXMF-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001571292187 946089537 /nfs/dbraw/zinc/08/95/37/946089537.db2.gz VDMXEAGCEMWXMF-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571292240 946091575 /nfs/dbraw/zinc/09/15/75/946091575.db2.gz WGRKZPOCYXLJQH-GRYCIOLGSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571292240 946091563 /nfs/dbraw/zinc/09/15/63/946091563.db2.gz WGRKZPOCYXLJQH-GRYCIOLGSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571292241 946092010 /nfs/dbraw/zinc/09/20/10/946092010.db2.gz WGRKZPOCYXLJQH-WOPDTQHZSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571292241 946091995 /nfs/dbraw/zinc/09/19/95/946091995.db2.gz WGRKZPOCYXLJQH-WOPDTQHZSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001571292258 946094053 /nfs/dbraw/zinc/09/40/53/946094053.db2.gz WUOWEMOYPOCJEN-JHJVBQTASA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001571292258 946094044 /nfs/dbraw/zinc/09/40/44/946094044.db2.gz WUOWEMOYPOCJEN-JHJVBQTASA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001571292259 946094007 /nfs/dbraw/zinc/09/40/07/946094007.db2.gz WUOWEMOYPOCJEN-UPJWGTAASA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001571292259 946093991 /nfs/dbraw/zinc/09/39/91/946093991.db2.gz WUOWEMOYPOCJEN-UPJWGTAASA-N 1 2 389.420 -1.957 20 0 GAADLO C[NH+]1CCC(OCC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001571295739 946174037 /nfs/dbraw/zinc/17/40/37/946174037.db2.gz DMJARMVUPVKJIS-UHFFFAOYSA-N 1 2 390.404 -1.377 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001571296100 946185096 /nfs/dbraw/zinc/18/50/96/946185096.db2.gz NSDCZXWBHFLYER-UHFFFAOYSA-N 1 2 390.404 -1.502 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001571296429 946194071 /nfs/dbraw/zinc/19/40/71/946194071.db2.gz XNUACZCFUDHRLU-AGIUHOORSA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001571296429 946194064 /nfs/dbraw/zinc/19/40/64/946194064.db2.gz XNUACZCFUDHRLU-AGIUHOORSA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001571296430 946194984 /nfs/dbraw/zinc/19/49/84/946194984.db2.gz XNUACZCFUDHRLU-FRRDWIJNSA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001571296430 946194974 /nfs/dbraw/zinc/19/49/74/946194974.db2.gz XNUACZCFUDHRLU-FRRDWIJNSA-N 1 2 390.404 -2.173 20 0 GAADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571302275 946298225 /nfs/dbraw/zinc/29/82/25/946298225.db2.gz STONFSCJPURWHV-SECBINFHSA-N 1 2 391.392 -2.293 20 0 GAADLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571302276 946297906 /nfs/dbraw/zinc/29/79/06/946297906.db2.gz STONFSCJPURWHV-VIFPVBQESA-N 1 2 391.392 -2.293 20 0 GAADLO COC(=O)[C@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001571308541 946433671 /nfs/dbraw/zinc/43/36/71/946433671.db2.gz QKHZGQLDDJVHSE-SECBINFHSA-N 1 2 392.376 -2.308 20 0 GAADLO COC(=O)[C@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+](C)C1 ZINC001571308541 946433666 /nfs/dbraw/zinc/43/36/66/946433666.db2.gz QKHZGQLDDJVHSE-SECBINFHSA-N 1 2 392.376 -2.308 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+](C)C1 ZINC001571308542 946433194 /nfs/dbraw/zinc/43/31/94/946433194.db2.gz QKHZGQLDDJVHSE-VIFPVBQESA-N 1 2 392.376 -2.308 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+](C)C1 ZINC001571308542 946433190 /nfs/dbraw/zinc/43/31/90/946433190.db2.gz QKHZGQLDDJVHSE-VIFPVBQESA-N 1 2 392.376 -2.308 20 0 GAADLO C[NH+](C)CC1(O)CCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571309501 946446874 /nfs/dbraw/zinc/44/68/74/946446874.db2.gz BUBZHDHGDGBCMD-UHFFFAOYSA-N 1 2 392.420 -1.566 20 0 GAADLO COC1CC[NH+](CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571309611 946448659 /nfs/dbraw/zinc/44/86/59/946448659.db2.gz FRDDQOCDROFWLG-UHFFFAOYSA-N 1 2 392.420 -1.254 20 0 GAADLO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001571309657 946450913 /nfs/dbraw/zinc/45/09/13/946450913.db2.gz GZRLCRSNKQEDDT-NWDGAFQWSA-N 1 2 392.420 -1.185 20 0 GAADLO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001571309658 946451023 /nfs/dbraw/zinc/45/10/23/946451023.db2.gz GZRLCRSNKQEDDT-VXGBXAGGSA-N 1 2 392.420 -1.185 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001571309784 946453058 /nfs/dbraw/zinc/45/30/58/946453058.db2.gz KPIHHCCPULCAQW-UHFFFAOYSA-N 1 2 392.420 -2.083 20 0 GAADLO CN1C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)NC1=O ZINC001571311049 946483179 /nfs/dbraw/zinc/48/31/79/946483179.db2.gz QQCTVARRFFZGEH-GMTAPVOTSA-N 1 2 392.445 -1.387 20 0 GAADLO CN1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)NC1=O ZINC001571311050 946482968 /nfs/dbraw/zinc/48/29/68/946482968.db2.gz QQCTVARRFFZGEH-OUAUKWLOSA-N 1 2 392.445 -1.387 20 0 GAADLO CC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001573404248 948019900 /nfs/dbraw/zinc/01/99/00/948019900.db2.gz BCWCWMLAWMUNBD-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573404944 948035016 /nfs/dbraw/zinc/03/50/16/948035016.db2.gz LQJYSDNGZBVURN-UHFFFAOYSA-N 1 2 387.448 -1.022 20 0 GAADLO CC(=O)N(C)CC(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573405349 948043346 /nfs/dbraw/zinc/04/33/46/948043346.db2.gz POWTYZOHJHWKJA-UHFFFAOYSA-N 1 2 387.448 -1.022 20 0 GAADLO CC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573405482 948045422 /nfs/dbraw/zinc/04/54/22/948045422.db2.gz SDQGUBMYDCQZMC-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573405855 948049628 /nfs/dbraw/zinc/04/96/28/948049628.db2.gz XTHRXCJJHSAPBX-UHFFFAOYSA-N 1 2 387.448 -1.022 20 0 GAADLO CC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573405873 948049405 /nfs/dbraw/zinc/04/94/05/948049405.db2.gz XUZTYAWPUYOSRZ-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001573405898 948049324 /nfs/dbraw/zinc/04/93/24/948049324.db2.gz YDZWZZFTFFZFGG-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001573482843 946204012 /nfs/dbraw/zinc/20/40/12/946204012.db2.gz APTZWXTXFBEFHX-LLVKDONJSA-N 1 2 388.436 -1.581 20 0 GAADLO CC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001573482844 946202794 /nfs/dbraw/zinc/20/27/94/946202794.db2.gz APTZWXTXFBEFHX-NSHDSACASA-N 1 2 388.436 -1.581 20 0 GAADLO CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573482923 946206390 /nfs/dbraw/zinc/20/63/90/946206390.db2.gz BYEHKHBVZJTFLL-LLVKDONJSA-N 1 2 388.436 -1.581 20 0 GAADLO CC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573482925 946206598 /nfs/dbraw/zinc/20/65/98/946206598.db2.gz BYEHKHBVZJTFLL-NSHDSACASA-N 1 2 388.436 -1.581 20 0 GAADLO CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001573485029 946223013 /nfs/dbraw/zinc/22/30/13/946223013.db2.gz PRYVRRVJKWIZMD-LLVKDONJSA-N 1 2 388.436 -1.581 20 0 GAADLO CC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001573485033 946224097 /nfs/dbraw/zinc/22/40/97/946224097.db2.gz PRYVRRVJKWIZMD-NSHDSACASA-N 1 2 388.436 -1.581 20 0 GAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573499838 946368391 /nfs/dbraw/zinc/36/83/91/946368391.db2.gz GKVYLFZILOMYFG-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001573500986 946376821 /nfs/dbraw/zinc/37/68/21/946376821.db2.gz MOYGQUMSKXWFLA-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573501014 946376571 /nfs/dbraw/zinc/37/65/71/946376571.db2.gz NGAAFCRQYOKLDO-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001573501984 946385801 /nfs/dbraw/zinc/38/58/01/946385801.db2.gz TYFVRVDITULSCP-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573502057 946385872 /nfs/dbraw/zinc/38/58/72/946385872.db2.gz UVXPWFKGBBSXOY-UHFFFAOYSA-N 1 2 387.448 -1.022 20 0 GAADLO CC(=O)NCC(=O)N(C)CC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573502741 946389777 /nfs/dbraw/zinc/38/97/77/946389777.db2.gz YDQSSVGHWIYTSA-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO CC(=O)NCC(=O)N(C)CCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573502807 946390670 /nfs/dbraw/zinc/39/06/70/946390670.db2.gz YXMRAUBBXHTZBD-UHFFFAOYSA-N 1 2 387.448 -1.022 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573515658 946549005 /nfs/dbraw/zinc/54/90/05/946549005.db2.gz OSAIABYNWPPNLW-UHFFFAOYSA-N 1 2 386.416 -1.581 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573515691 946547754 /nfs/dbraw/zinc/54/77/54/946547754.db2.gz PBLKIVXVQPBVMW-UHFFFAOYSA-N 1 2 386.416 -1.581 20 0 GAADLO CC(=O)NCC(=O)NCCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573520243 946592969 /nfs/dbraw/zinc/59/29/69/946592969.db2.gz FLIRCMGCOHKKHM-UHFFFAOYSA-N 1 2 388.436 -1.579 20 0 GAADLO CC(=O)NCC(=O)NCC[NH+]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)CC1 ZINC001573520832 946600964 /nfs/dbraw/zinc/60/09/64/946600964.db2.gz MYPCUOKKHBBEHT-UHFFFAOYSA-N 1 2 388.436 -1.661 20 0 GAADLO CC(=O)NCC(=O)NCC[NH+]1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573521140 946604602 /nfs/dbraw/zinc/60/46/02/946604602.db2.gz RSYLADIJVNFCFB-UHFFFAOYSA-N 1 2 388.436 -1.793 20 0 GAADLO CC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(C)n2)CC1 ZINC001573521434 946605658 /nfs/dbraw/zinc/60/56/58/946605658.db2.gz VWZQTEOLBARVIS-UHFFFAOYSA-N 1 2 387.448 -1.056 20 0 GAADLO CC(=O)NCC(=O)NCC[NH+]1CCN(c2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC001573521467 946609444 /nfs/dbraw/zinc/60/94/44/946609444.db2.gz XEKNAPSMRVXFHP-UHFFFAOYSA-N 1 2 387.448 -1.056 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001573521805 946612760 /nfs/dbraw/zinc/61/27/60/946612760.db2.gz HVJJGSPHWQIKFU-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001573521805 946612751 /nfs/dbraw/zinc/61/27/51/946612751.db2.gz HVJJGSPHWQIKFU-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573521806 946612892 /nfs/dbraw/zinc/61/28/92/946612892.db2.gz HVJJGSPHWQIKFU-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001573521806 946612882 /nfs/dbraw/zinc/61/28/82/946612882.db2.gz HVJJGSPHWQIKFU-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001573521896 946616616 /nfs/dbraw/zinc/61/66/16/946616616.db2.gz NMZMPDAFZIUNLZ-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001573521896 946616614 /nfs/dbraw/zinc/61/66/14/946616614.db2.gz NMZMPDAFZIUNLZ-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573521897 946616865 /nfs/dbraw/zinc/61/68/65/946616865.db2.gz NMZMPDAFZIUNLZ-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001573521897 946616862 /nfs/dbraw/zinc/61/68/62/946616862.db2.gz NMZMPDAFZIUNLZ-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573522030 946620175 /nfs/dbraw/zinc/62/01/75/946620175.db2.gz WMMPSLYKAAEDGW-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001573522030 946620170 /nfs/dbraw/zinc/62/01/70/946620170.db2.gz WMMPSLYKAAEDGW-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573522031 946620482 /nfs/dbraw/zinc/62/04/82/946620482.db2.gz WMMPSLYKAAEDGW-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573522031 946620458 /nfs/dbraw/zinc/62/04/58/946620458.db2.gz WMMPSLYKAAEDGW-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573522036 946621469 /nfs/dbraw/zinc/62/14/69/946621469.db2.gz WVPWTTRRMLOQLZ-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001573522036 946621465 /nfs/dbraw/zinc/62/14/65/946621465.db2.gz WVPWTTRRMLOQLZ-KGLIPLIRSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001573522037 946620009 /nfs/dbraw/zinc/62/00/09/946620009.db2.gz WVPWTTRRMLOQLZ-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001573522037 946620003 /nfs/dbraw/zinc/62/00/03/946620003.db2.gz WVPWTTRRMLOQLZ-ZIAGYGMSSA-N 1 2 377.380 -1.197 20 0 GAADLO CC(=O)N[C@@H](CC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C(N)=O ZINC001573537450 946750263 /nfs/dbraw/zinc/75/02/63/946750263.db2.gz BPNYNKLPCPWECU-AWEZNQCLSA-N 1 2 386.416 -1.453 20 0 GAADLO CC(=O)N[C@@H](CC(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)C(N)=O ZINC001573538618 946773417 /nfs/dbraw/zinc/77/34/17/946773417.db2.gz YKKRWBQHKAKCBS-AWEZNQCLSA-N 1 2 386.416 -1.453 20 0 GAADLO CC(=O)N[C@@H](CC(=O)NC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)C(N)=O ZINC001573538636 946773592 /nfs/dbraw/zinc/77/35/92/946773592.db2.gz ZEQFPAVCPSVVSY-AWEZNQCLSA-N 1 2 386.416 -1.453 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655981 947984320 /nfs/dbraw/zinc/98/43/20/947984320.db2.gz ASSVHSWPWLCGJY-BDAKNGLRSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655981 947984312 /nfs/dbraw/zinc/98/43/12/947984312.db2.gz ASSVHSWPWLCGJY-BDAKNGLRSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655982 947983237 /nfs/dbraw/zinc/98/32/37/947983237.db2.gz ASSVHSWPWLCGJY-DTWKUNHWSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655982 947983225 /nfs/dbraw/zinc/98/32/25/947983225.db2.gz ASSVHSWPWLCGJY-DTWKUNHWSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655983 947983328 /nfs/dbraw/zinc/98/33/28/947983328.db2.gz ASSVHSWPWLCGJY-IUCAKERBSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655983 947983321 /nfs/dbraw/zinc/98/33/21/947983321.db2.gz ASSVHSWPWLCGJY-IUCAKERBSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655984 947983510 /nfs/dbraw/zinc/98/35/10/947983510.db2.gz ASSVHSWPWLCGJY-RKDXNWHRSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573655984 947983503 /nfs/dbraw/zinc/98/35/03/947983503.db2.gz ASSVHSWPWLCGJY-RKDXNWHRSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657157 947998954 /nfs/dbraw/zinc/99/89/54/947998954.db2.gz LFYVRRVCPYEWTD-PSASIEDQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657157 947998948 /nfs/dbraw/zinc/99/89/48/947998948.db2.gz LFYVRRVCPYEWTD-PSASIEDQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657299 947998323 /nfs/dbraw/zinc/99/83/23/947998323.db2.gz LFYVRRVCPYEWTD-SCZZXKLOSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657299 947998313 /nfs/dbraw/zinc/99/83/13/947998313.db2.gz LFYVRRVCPYEWTD-SCZZXKLOSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657300 947998401 /nfs/dbraw/zinc/99/84/01/947998401.db2.gz LFYVRRVCPYEWTD-WCBMZHEXSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657300 947998399 /nfs/dbraw/zinc/99/83/99/947998399.db2.gz LFYVRRVCPYEWTD-WCBMZHEXSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657301 947998065 /nfs/dbraw/zinc/99/80/65/947998065.db2.gz LFYVRRVCPYEWTD-WPRPVWTQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573657301 947998060 /nfs/dbraw/zinc/99/80/60/947998060.db2.gz LFYVRRVCPYEWTD-WPRPVWTQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657628 948001246 /nfs/dbraw/zinc/00/12/46/948001246.db2.gz NUKKHTCRCXFNLR-PSASIEDQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657628 948001243 /nfs/dbraw/zinc/00/12/43/948001243.db2.gz NUKKHTCRCXFNLR-PSASIEDQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657629 948001607 /nfs/dbraw/zinc/00/16/07/948001607.db2.gz NUKKHTCRCXFNLR-SCZZXKLOSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657629 948001596 /nfs/dbraw/zinc/00/15/96/948001596.db2.gz NUKKHTCRCXFNLR-SCZZXKLOSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657630 948000408 /nfs/dbraw/zinc/00/04/08/948000408.db2.gz NUKKHTCRCXFNLR-WCBMZHEXSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657630 948000396 /nfs/dbraw/zinc/00/03/96/948000396.db2.gz NUKKHTCRCXFNLR-WCBMZHEXSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657631 948000338 /nfs/dbraw/zinc/00/03/38/948000338.db2.gz NUKKHTCRCXFNLR-WPRPVWTQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573657631 948000328 /nfs/dbraw/zinc/00/03/28/948000328.db2.gz NUKKHTCRCXFNLR-WPRPVWTQSA-N 1 2 375.393 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001573657806 948003029 /nfs/dbraw/zinc/00/30/29/948003029.db2.gz OUAPYZLJMPAPHG-KBVBSXBZSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001573657806 948003019 /nfs/dbraw/zinc/00/30/19/948003019.db2.gz OUAPYZLJMPAPHG-KBVBSXBZSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001573657807 948002330 /nfs/dbraw/zinc/00/23/30/948002330.db2.gz OUAPYZLJMPAPHG-YGOYTEALSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001573657807 948002325 /nfs/dbraw/zinc/00/23/25/948002325.db2.gz OUAPYZLJMPAPHG-YGOYTEALSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001573657851 948005000 /nfs/dbraw/zinc/00/50/00/948005000.db2.gz PICVPGDEFQVENT-KBVBSXBZSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001573657851 948004995 /nfs/dbraw/zinc/00/49/95/948004995.db2.gz PICVPGDEFQVENT-KBVBSXBZSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001573657853 948004649 /nfs/dbraw/zinc/00/46/49/948004649.db2.gz PICVPGDEFQVENT-YGOYTEALSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001573657853 948004638 /nfs/dbraw/zinc/00/46/38/948004638.db2.gz PICVPGDEFQVENT-YGOYTEALSA-N 1 2 387.404 -1.076 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573658586 948009574 /nfs/dbraw/zinc/00/95/74/948009574.db2.gz SJJITOVKYDGDDI-SECBINFHSA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573658586 948009562 /nfs/dbraw/zinc/00/95/62/948009562.db2.gz SJJITOVKYDGDDI-SECBINFHSA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573658588 948009079 /nfs/dbraw/zinc/00/90/79/948009079.db2.gz SJJITOVKYDGDDI-VIFPVBQESA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573658588 948009073 /nfs/dbraw/zinc/00/90/73/948009073.db2.gz SJJITOVKYDGDDI-VIFPVBQESA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573658891 948010869 /nfs/dbraw/zinc/01/08/69/948010869.db2.gz UEPRIZLPGOVNQT-SECBINFHSA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573658891 948010863 /nfs/dbraw/zinc/01/08/63/948010863.db2.gz UEPRIZLPGOVNQT-SECBINFHSA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573658897 948010899 /nfs/dbraw/zinc/01/08/99/948010899.db2.gz UEPRIZLPGOVNQT-VIFPVBQESA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573658897 948010892 /nfs/dbraw/zinc/01/08/92/948010892.db2.gz UEPRIZLPGOVNQT-VIFPVBQESA-N 1 2 375.393 -1.074 20 0 GAADLO C[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)n1cnc(-c2nn[nH]n2)n1 ZINC001573725981 948545387 /nfs/dbraw/zinc/54/53/87/948545387.db2.gz DYMJHOUPFXIMKZ-JRPNMDOOSA-N 1 2 377.409 -1.639 20 0 GAADLO C[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)n1cnc(-c2nn[nH]n2)n1 ZINC001573725981 948545382 /nfs/dbraw/zinc/54/53/82/948545382.db2.gz DYMJHOUPFXIMKZ-JRPNMDOOSA-N 1 2 377.409 -1.639 20 0 GAADLO C[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)n1cnc(-c2nn[nH]n2)n1 ZINC001573725982 948546631 /nfs/dbraw/zinc/54/66/31/948546631.db2.gz DYMJHOUPFXIMKZ-ZIBATOQPSA-N 1 2 377.409 -1.639 20 0 GAADLO C[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)n1cnc(-c2nn[nH]n2)n1 ZINC001573725982 948546627 /nfs/dbraw/zinc/54/66/27/948546627.db2.gz DYMJHOUPFXIMKZ-ZIBATOQPSA-N 1 2 377.409 -1.639 20 0 GAADLO C[C@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573754581 948744146 /nfs/dbraw/zinc/74/41/46/948744146.db2.gz IGNSFWUTHDANOE-LLVKDONJSA-N 1 2 375.437 -1.242 20 0 GAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573754582 948744628 /nfs/dbraw/zinc/74/46/28/948744628.db2.gz IGNSFWUTHDANOE-NSHDSACASA-N 1 2 375.437 -1.242 20 0 GAADLO C[C@@H](C(N)=O)N1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755689 948777581 /nfs/dbraw/zinc/77/75/81/948777581.db2.gz SIQVVQLSLCWGOV-AAEUAGOBSA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@H](C(N)=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755690 948777800 /nfs/dbraw/zinc/77/78/00/948777800.db2.gz SIQVVQLSLCWGOV-DGCLKSJQSA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@@H](C(N)=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755691 948778340 /nfs/dbraw/zinc/77/83/40/948778340.db2.gz SIQVVQLSLCWGOV-WCQYABFASA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@H](C(N)=O)N1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755692 948777689 /nfs/dbraw/zinc/77/76/89/948777689.db2.gz SIQVVQLSLCWGOV-YPMHNXCESA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@@H](C(N)=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001573756004 948792280 /nfs/dbraw/zinc/79/22/80/948792280.db2.gz VVKYQDZNKRWPBA-AAEUAGOBSA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@H](C(N)=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001573756006 948794895 /nfs/dbraw/zinc/79/48/95/948794895.db2.gz VVKYQDZNKRWPBA-DGCLKSJQSA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@@H](C(N)=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001573756008 948793461 /nfs/dbraw/zinc/79/34/61/948793461.db2.gz VVKYQDZNKRWPBA-WCQYABFASA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@H](C(N)=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001573756010 948793918 /nfs/dbraw/zinc/79/39/18/948793918.db2.gz VVKYQDZNKRWPBA-YPMHNXCESA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@H](C(N)=O)N1CC[NH+](CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573756318 948809572 /nfs/dbraw/zinc/80/95/72/948809572.db2.gz ZHCRAQSFVXKFKH-LLVKDONJSA-N 1 2 375.437 -1.242 20 0 GAADLO C[C@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573756318 948809560 /nfs/dbraw/zinc/80/95/60/948809560.db2.gz ZHCRAQSFVXKFKH-LLVKDONJSA-N 1 2 375.437 -1.242 20 0 GAADLO C[C@@H](C(N)=O)N1CC[NH+](CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573756319 948809950 /nfs/dbraw/zinc/80/99/50/948809950.db2.gz ZHCRAQSFVXKFKH-NSHDSACASA-N 1 2 375.437 -1.242 20 0 GAADLO C[C@@H](C(N)=O)[NH+]1CCN(CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573756319 948809933 /nfs/dbraw/zinc/80/99/33/948809933.db2.gz ZHCRAQSFVXKFKH-NSHDSACASA-N 1 2 375.437 -1.242 20 0 GAADLO C[C@H](C(N)=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573756332 948811938 /nfs/dbraw/zinc/81/19/38/948811938.db2.gz ZMUHJQZVMQDPIB-NEPJUHHUSA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@@H](C(N)=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573756333 948811763 /nfs/dbraw/zinc/81/17/63/948811763.db2.gz ZMUHJQZVMQDPIB-NWDGAFQWSA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@@H](C(N)=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573756334 948811581 /nfs/dbraw/zinc/81/15/81/948811581.db2.gz ZMUHJQZVMQDPIB-RYUDHWBXSA-N 1 2 387.448 -1.099 20 0 GAADLO C[C@H](C(N)=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573756335 948808927 /nfs/dbraw/zinc/80/89/27/948808927.db2.gz ZMUHJQZVMQDPIB-VXGBXAGGSA-N 1 2 387.448 -1.099 20 0 GAADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433334 948952440 /nfs/dbraw/zinc/95/24/40/948952440.db2.gz UUPKCFQAYFKYAR-LLVKDONJSA-N 1 2 386.420 -1.012 20 0 GAADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433335 948952547 /nfs/dbraw/zinc/95/25/47/948952547.db2.gz UUPKCFQAYFKYAR-NSHDSACASA-N 1 2 386.420 -1.012 20 0 GAADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574433656 948964158 /nfs/dbraw/zinc/96/41/58/948964158.db2.gz ZYJBGMWUTYKYHR-LLVKDONJSA-N 1 2 386.420 -1.012 20 0 GAADLO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574433657 948964978 /nfs/dbraw/zinc/96/49/78/948964978.db2.gz ZYJBGMWUTYKYHR-NSHDSACASA-N 1 2 386.420 -1.012 20 0 GAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765316 950782166 /nfs/dbraw/zinc/78/21/66/950782166.db2.gz BSIRELOXGWQTLY-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765316 950782155 /nfs/dbraw/zinc/78/21/55/950782155.db2.gz BSIRELOXGWQTLY-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765318 950783116 /nfs/dbraw/zinc/78/31/16/950783116.db2.gz BSIRELOXGWQTLY-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574765318 950783098 /nfs/dbraw/zinc/78/30/98/950783098.db2.gz BSIRELOXGWQTLY-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767064 950838777 /nfs/dbraw/zinc/83/87/77/950838777.db2.gz LJPYFYSJHLXVFJ-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767064 950838755 /nfs/dbraw/zinc/83/87/55/950838755.db2.gz LJPYFYSJHLXVFJ-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767066 950838210 /nfs/dbraw/zinc/83/82/10/950838210.db2.gz LJPYFYSJHLXVFJ-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767066 950838199 /nfs/dbraw/zinc/83/81/99/950838199.db2.gz LJPYFYSJHLXVFJ-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767068 950837504 /nfs/dbraw/zinc/83/75/04/950837504.db2.gz LJUMIFNTFVNSRL-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767068 950837490 /nfs/dbraw/zinc/83/74/90/950837490.db2.gz LJUMIFNTFVNSRL-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](C[N@@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767070 950835436 /nfs/dbraw/zinc/83/54/36/950835436.db2.gz LJUMIFNTFVNSRL-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](C[N@H+](C)CC(=O)N1CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767070 950835415 /nfs/dbraw/zinc/83/54/15/950835415.db2.gz LJUMIFNTFVNSRL-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+](C)C1CC1 ZINC001574950159 949530580 /nfs/dbraw/zinc/53/05/80/949530580.db2.gz MBCKWCAMTFSKLM-SECBINFHSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+](C)C1CC1 ZINC001574950159 949530570 /nfs/dbraw/zinc/53/05/70/949530570.db2.gz MBCKWCAMTFSKLM-SECBINFHSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@@H+](C)C1CC1 ZINC001574950160 949530464 /nfs/dbraw/zinc/53/04/64/949530464.db2.gz MBCKWCAMTFSKLM-VIFPVBQESA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[N@H+](C)C1CC1 ZINC001574950160 949530447 /nfs/dbraw/zinc/53/04/47/949530447.db2.gz MBCKWCAMTFSKLM-VIFPVBQESA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574973004 949948208 /nfs/dbraw/zinc/94/82/08/949948208.db2.gz FPDOVULSDCZNDV-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574973004 949948182 /nfs/dbraw/zinc/94/81/82/949948182.db2.gz FPDOVULSDCZNDV-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574973006 949947086 /nfs/dbraw/zinc/94/70/86/949947086.db2.gz FPDOVULSDCZNDV-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574973006 949947074 /nfs/dbraw/zinc/94/70/74/949947074.db2.gz FPDOVULSDCZNDV-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574988493 950338106 /nfs/dbraw/zinc/33/81/06/950338106.db2.gz SBUWNMKYLJQOFT-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574988493 950338085 /nfs/dbraw/zinc/33/80/85/950338085.db2.gz SBUWNMKYLJQOFT-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574988494 950337063 /nfs/dbraw/zinc/33/70/63/950337063.db2.gz SBUWNMKYLJQOFT-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001574988494 950337044 /nfs/dbraw/zinc/33/70/44/950337044.db2.gz SBUWNMKYLJQOFT-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001575010643 950829613 /nfs/dbraw/zinc/82/96/13/950829613.db2.gz HQFMDBUVELRDHL-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001575010643 950829591 /nfs/dbraw/zinc/82/95/91/950829591.db2.gz HQFMDBUVELRDHL-JTQLQIEISA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001575010644 950834157 /nfs/dbraw/zinc/83/41/57/950834157.db2.gz HQFMDBUVELRDHL-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001575010644 950834138 /nfs/dbraw/zinc/83/41/38/950834138.db2.gz HQFMDBUVELRDHL-SNVBAGLBSA-N 1 2 389.420 -1.797 20 0 GAADLO C[C@H](NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001575282479 949836854 /nfs/dbraw/zinc/83/68/54/949836854.db2.gz BWXJFNQFWJNMHQ-JTQLQIEISA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@H](NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001575282479 949836841 /nfs/dbraw/zinc/83/68/41/949836841.db2.gz BWXJFNQFWJNMHQ-JTQLQIEISA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@@H](NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001575282480 949839972 /nfs/dbraw/zinc/83/99/72/949839972.db2.gz BWXJFNQFWJNMHQ-SNVBAGLBSA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@@H](NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)N(C)C ZINC001575282480 949839951 /nfs/dbraw/zinc/83/99/51/949839951.db2.gz BWXJFNQFWJNMHQ-SNVBAGLBSA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@H](NC(=O)C[N@@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575282903 949847170 /nfs/dbraw/zinc/84/71/70/949847170.db2.gz CQAMONONZADGMN-JTQLQIEISA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@H](NC(=O)C[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575282903 949847142 /nfs/dbraw/zinc/84/71/42/949847142.db2.gz CQAMONONZADGMN-JTQLQIEISA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@@H](NC(=O)C[N@@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575282906 949849811 /nfs/dbraw/zinc/84/98/11/949849811.db2.gz CQAMONONZADGMN-SNVBAGLBSA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@@H](NC(=O)C[N@H+](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)N(C)C ZINC001575282906 949849787 /nfs/dbraw/zinc/84/97/87/949849787.db2.gz CQAMONONZADGMN-SNVBAGLBSA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@H](NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)N(C)C ZINC001575286485 949985866 /nfs/dbraw/zinc/98/58/66/949985866.db2.gz XCRATGKWQNWRLO-JTQLQIEISA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@H](NC(=O)C[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)N(C)C ZINC001575286485 949985846 /nfs/dbraw/zinc/98/58/46/949985846.db2.gz XCRATGKWQNWRLO-JTQLQIEISA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@@H](NC(=O)C[N@@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)N(C)C ZINC001575286486 949985720 /nfs/dbraw/zinc/98/57/20/949985720.db2.gz XCRATGKWQNWRLO-SNVBAGLBSA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@@H](NC(=O)C[N@H+](C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)N(C)C ZINC001575286486 949985700 /nfs/dbraw/zinc/98/57/00/949985700.db2.gz XCRATGKWQNWRLO-SNVBAGLBSA-N 1 2 391.436 -1.551 20 0 GAADLO C[C@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886373 949882218 /nfs/dbraw/zinc/88/22/18/949882218.db2.gz XZISZMWMJNUTSK-GZMMTYOYSA-N 1 2 375.393 -1.212 20 0 GAADLO C[C@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886373 949882195 /nfs/dbraw/zinc/88/21/95/949882195.db2.gz XZISZMWMJNUTSK-GZMMTYOYSA-N 1 2 375.393 -1.212 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886377 949880532 /nfs/dbraw/zinc/88/05/32/949880532.db2.gz XZISZMWMJNUTSK-KCJUWKMLSA-N 1 2 375.393 -1.212 20 0 GAADLO C[C@@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886377 949880510 /nfs/dbraw/zinc/88/05/10/949880510.db2.gz XZISZMWMJNUTSK-KCJUWKMLSA-N 1 2 375.393 -1.212 20 0 GAADLO C[C@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886380 949880343 /nfs/dbraw/zinc/88/03/43/949880343.db2.gz XZISZMWMJNUTSK-KWQFWETISA-N 1 2 375.393 -1.212 20 0 GAADLO C[C@H]1[C@@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886380 949880317 /nfs/dbraw/zinc/88/03/17/949880317.db2.gz XZISZMWMJNUTSK-KWQFWETISA-N 1 2 375.393 -1.212 20 0 GAADLO C[C@@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@H+]1C ZINC001575886383 949884630 /nfs/dbraw/zinc/88/46/30/949884630.db2.gz XZISZMWMJNUTSK-LDYMZIIASA-N 1 2 375.393 -1.212 20 0 GAADLO C[C@@H]1[C@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC[N@@H+]1C ZINC001575886383 949884606 /nfs/dbraw/zinc/88/46/06/949884606.db2.gz XZISZMWMJNUTSK-LDYMZIIASA-N 1 2 375.393 -1.212 20 0 GAADLO CC1CC[NH+](CC(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576204943 950487324 /nfs/dbraw/zinc/48/73/24/950487324.db2.gz DZBGUIGYXKHADA-GFCCVEGCSA-N 1 2 375.437 -1.301 20 0 GAADLO CC1CC[NH+](CC(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576204947 950488295 /nfs/dbraw/zinc/48/82/95/950488295.db2.gz DZBGUIGYXKHADA-LBPRGKRZSA-N 1 2 375.437 -1.301 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1COC2(CN(CC(=O)NCc3c[nH]nn3)C2)C1 ZINC001577578101 1075304438 /nfs/dbraw/zinc/30/44/38/1075304438.db2.gz LXHDVXGYZFWSHL-ZDUSSCGKSA-N 1 2 388.432 -1.414 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NCCN1CCN(CC(=O)NCc2cn[nH]n2)CC1 ZINC001577578492 1075304212 /nfs/dbraw/zinc/30/42/12/1075304212.db2.gz QTSMUDZHYDSXLM-UHFFFAOYSA-N 1 2 389.464 -1.640 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577578776 1075304373 /nfs/dbraw/zinc/30/43/73/1075304373.db2.gz UTXYKDJPEWJEMV-KRWDZBQOSA-N 1 2 390.448 -1.167 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@]1(C)CN(CC(=O)NCc2c[nH]nn2)CCO1 ZINC001577578777 1075304181 /nfs/dbraw/zinc/30/41/81/1075304181.db2.gz UTXYKDJPEWJEMV-QGZVFWFLSA-N 1 2 390.448 -1.167 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001577578976 1075304415 /nfs/dbraw/zinc/30/44/15/1075304415.db2.gz ZDZMCZRFNJCPGR-BXUZGUMPSA-N 1 2 379.421 -1.150 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001577578977 1075304393 /nfs/dbraw/zinc/30/43/93/1075304393.db2.gz ZDZMCZRFNJCPGR-FZMZJTMJSA-N 1 2 379.421 -1.150 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)OCc1c[nH]nn1 ZINC001577578978 1075304268 /nfs/dbraw/zinc/30/42/68/1075304268.db2.gz ZDZMCZRFNJCPGR-RISCZKNCSA-N 1 2 379.421 -1.150 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)CNC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001577578979 1075304359 /nfs/dbraw/zinc/30/43/59/1075304359.db2.gz ZDZMCZRFNJCPGR-SMDDNHRTSA-N 1 2 379.421 -1.150 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580201 1075304342 /nfs/dbraw/zinc/30/43/42/1075304342.db2.gz FBPGUQFDYBCMTG-GXTWGEPZSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580201 1075304336 /nfs/dbraw/zinc/30/43/36/1075304336.db2.gz FBPGUQFDYBCMTG-GXTWGEPZSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580202 1075304238 /nfs/dbraw/zinc/30/42/38/1075304238.db2.gz FBPGUQFDYBCMTG-JSGCOSHPSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580202 1075304235 /nfs/dbraw/zinc/30/42/35/1075304235.db2.gz FBPGUQFDYBCMTG-JSGCOSHPSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580203 1075304198 /nfs/dbraw/zinc/30/41/98/1075304198.db2.gz FBPGUQFDYBCMTG-OCCSQVGLSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580203 1075304197 /nfs/dbraw/zinc/30/41/97/1075304197.db2.gz FBPGUQFDYBCMTG-OCCSQVGLSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@H+](C)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580204 1075304314 /nfs/dbraw/zinc/30/43/14/1075304314.db2.gz FBPGUQFDYBCMTG-TZMCWYRMSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncn(C)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001577580204 1075304309 /nfs/dbraw/zinc/30/43/09/1075304309.db2.gz FBPGUQFDYBCMTG-TZMCWYRMSA-N 1 2 392.464 -1.084 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577580217 1075304467 /nfs/dbraw/zinc/30/44/67/1075304467.db2.gz FRUFRFWFQINFQK-CYBMUJFWSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577580217 1075304463 /nfs/dbraw/zinc/30/44/63/1075304463.db2.gz FRUFRFWFQINFQK-CYBMUJFWSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577580217 1075304459 /nfs/dbraw/zinc/30/44/59/1075304459.db2.gz FRUFRFWFQINFQK-CYBMUJFWSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577580217 1075304456 /nfs/dbraw/zinc/30/44/56/1075304456.db2.gz FRUFRFWFQINFQK-CYBMUJFWSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577580218 1075304494 /nfs/dbraw/zinc/30/44/94/1075304494.db2.gz FRUFRFWFQINFQK-ZDUSSCGKSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577580218 1075304490 /nfs/dbraw/zinc/30/44/90/1075304490.db2.gz FRUFRFWFQINFQK-ZDUSSCGKSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577580218 1075304485 /nfs/dbraw/zinc/30/44/85/1075304485.db2.gz FRUFRFWFQINFQK-ZDUSSCGKSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1ncncc1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577580218 1075304482 /nfs/dbraw/zinc/30/44/82/1075304482.db2.gz FRUFRFWFQINFQK-ZDUSSCGKSA-N 1 2 376.421 -1.416 20 0 GAADLO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577596347 1075305807 /nfs/dbraw/zinc/30/58/07/1075305807.db2.gz GHAWKBIHKIWZPQ-INIZCTEOSA-N 1 2 376.421 -1.670 20 0 GAADLO Cc1nn(C)cc1C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577596347 1075305802 /nfs/dbraw/zinc/30/58/02/1075305802.db2.gz GHAWKBIHKIWZPQ-INIZCTEOSA-N 1 2 376.421 -1.670 20 0 GAADLO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577596348 1075305758 /nfs/dbraw/zinc/30/57/58/1075305758.db2.gz GHAWKBIHKIWZPQ-MRXNPFEDSA-N 1 2 376.421 -1.670 20 0 GAADLO Cc1nn(C)cc1C(=O)NC[C@]1(O)CC[N@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577596348 1075305752 /nfs/dbraw/zinc/30/57/52/1075305752.db2.gz GHAWKBIHKIWZPQ-MRXNPFEDSA-N 1 2 376.421 -1.670 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577596992 1075305621 /nfs/dbraw/zinc/30/56/21/1075305621.db2.gz SDGDMCGHCXQWFJ-HNNXBMFYSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577596992 1075305619 /nfs/dbraw/zinc/30/56/19/1075305619.db2.gz SDGDMCGHCXQWFJ-HNNXBMFYSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577596992 1075305614 /nfs/dbraw/zinc/30/56/14/1075305614.db2.gz SDGDMCGHCXQWFJ-HNNXBMFYSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577596992 1075305611 /nfs/dbraw/zinc/30/56/11/1075305611.db2.gz SDGDMCGHCXQWFJ-HNNXBMFYSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577596997 1075305735 /nfs/dbraw/zinc/30/57/35/1075305735.db2.gz SDGDMCGHCXQWFJ-OAHLLOKOSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NCc1c[nH]nn1 ZINC001577596997 1075305730 /nfs/dbraw/zinc/30/57/30/1075305730.db2.gz SDGDMCGHCXQWFJ-OAHLLOKOSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577596997 1075305727 /nfs/dbraw/zinc/30/57/27/1075305727.db2.gz SDGDMCGHCXQWFJ-OAHLLOKOSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(=O)NCc1cn[nH]n1 ZINC001577596997 1075305721 /nfs/dbraw/zinc/30/57/21/1075305721.db2.gz SDGDMCGHCXQWFJ-OAHLLOKOSA-N 1 2 392.464 -1.543 20 0 GAADLO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599489 1075306331 /nfs/dbraw/zinc/30/63/31/1075306331.db2.gz GHGHLFOWUJRHAL-JTQLQIEISA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599489 1075306327 /nfs/dbraw/zinc/30/63/27/1075306327.db2.gz GHGHLFOWUJRHAL-JTQLQIEISA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NCc2cn[nH]n2)c(=O)n1C ZINC001577599489 1075306322 /nfs/dbraw/zinc/30/63/22/1075306322.db2.gz GHGHLFOWUJRHAL-JTQLQIEISA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)NCc2cn[nH]n2)c(=O)n1C ZINC001577599489 1075306317 /nfs/dbraw/zinc/30/63/17/1075306317.db2.gz GHGHLFOWUJRHAL-JTQLQIEISA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599490 1075306092 /nfs/dbraw/zinc/30/60/92/1075306092.db2.gz GHGHLFOWUJRHAL-SNVBAGLBSA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NCc2c[nH]nn2)c(=O)n1C ZINC001577599490 1075306086 /nfs/dbraw/zinc/30/60/86/1075306086.db2.gz GHGHLFOWUJRHAL-SNVBAGLBSA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCc2cn[nH]n2)c(=O)n1C ZINC001577599490 1075306083 /nfs/dbraw/zinc/30/60/83/1075306083.db2.gz GHGHLFOWUJRHAL-SNVBAGLBSA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)N[C@H](C)C[N@H+](C)CC(=O)NCc2cn[nH]n2)c(=O)n1C ZINC001577599490 1075306077 /nfs/dbraw/zinc/30/60/77/1075306077.db2.gz GHGHLFOWUJRHAL-SNVBAGLBSA-N 1 2 379.425 -2.239 20 0 GAADLO Cc1nn(CC(=O)NCCC[NH+]2CCN(Cc3c[nH]nn3)CC2)c(=O)n1C ZINC001577600777 1075306595 /nfs/dbraw/zinc/30/65/95/1075306595.db2.gz ZXCLOLWAZSNMGH-UHFFFAOYSA-N 1 2 377.453 -1.668 20 0 GAADLO Cn1c(=O)cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2cnn[nH]2)n(C)c1=O ZINC001577643937 1075308723 /nfs/dbraw/zinc/30/87/23/1075308723.db2.gz DFWLSATVFGTFDZ-HALDLXJZSA-N 1 2 387.444 -1.229 20 0 GAADLO Cn1c(=O)cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCc2cnn[nH]2)n(C)c1=O ZINC001577643937 1075308718 /nfs/dbraw/zinc/30/87/18/1075308718.db2.gz DFWLSATVFGTFDZ-HALDLXJZSA-N 1 2 387.444 -1.229 20 0 GAADLO Cn1c(=O)ccn(CC(=O)N2CCC([N@@H+](CCO)Cc3c[nH]nn3)CC2)c1=O ZINC001577644573 1075309453 /nfs/dbraw/zinc/30/94/53/1075309453.db2.gz VRMGQZWKAFTZLJ-UHFFFAOYSA-N 1 2 391.432 -1.849 20 0 GAADLO Cn1c(=O)ccn(CC(=O)N2CCC([N@H+](CCO)Cc3c[nH]nn3)CC2)c1=O ZINC001577644573 1075309449 /nfs/dbraw/zinc/30/94/49/1075309449.db2.gz VRMGQZWKAFTZLJ-UHFFFAOYSA-N 1 2 391.432 -1.849 20 0 GAADLO Cn1c(=O)ccn(CC(=O)N2CCC([N@@H+](CCO)Cc3cnn[nH]3)CC2)c1=O ZINC001577644573 1075309446 /nfs/dbraw/zinc/30/94/46/1075309446.db2.gz VRMGQZWKAFTZLJ-UHFFFAOYSA-N 1 2 391.432 -1.849 20 0 GAADLO Cn1c(=O)ccn(CC(=O)N2CCC([N@H+](CCO)Cc3cnn[nH]3)CC2)c1=O ZINC001577644573 1075309441 /nfs/dbraw/zinc/30/94/41/1075309441.db2.gz VRMGQZWKAFTZLJ-UHFFFAOYSA-N 1 2 391.432 -1.849 20 0 GAADLO Cn1cc(C(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC(N)=O)CC2)n(C)c1=O ZINC001577646784 1075309679 /nfs/dbraw/zinc/30/96/79/1075309679.db2.gz AZQADCFIHCVLBX-UHFFFAOYSA-N 1 2 376.421 -1.566 20 0 GAADLO Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(Cc4cn[nH]n4)CC3)C2)c(=O)[nH]c1=O ZINC001577647731 1075310052 /nfs/dbraw/zinc/31/00/52/1075310052.db2.gz SUJAJYAHRDZHSV-CYBMUJFWSA-N 1 2 388.432 -1.364 20 0 GAADLO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCN(Cc4cn[nH]n4)CC3)C2)c(=O)[nH]c1=O ZINC001577647734 1075309957 /nfs/dbraw/zinc/30/99/57/1075309957.db2.gz SUJAJYAHRDZHSV-ZDUSSCGKSA-N 1 2 388.432 -1.364 20 0 GAADLO Cn1cc(C(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC(N)=O)CC2)c(=O)[nH]c1=O ZINC001577647894 1075310460 /nfs/dbraw/zinc/31/04/60/1075310460.db2.gz WHZOHHKKAKXBSI-UHFFFAOYSA-N 1 2 390.404 -1.804 20 0 GAADLO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4c[nH]nn4)C[C@H]32)ccc1=O ZINC001577650322 1075310946 /nfs/dbraw/zinc/31/09/46/1075310946.db2.gz DUXHWBFJTYTJIS-QKDCVEJESA-N 1 2 385.428 -1.273 20 0 GAADLO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4c[nH]nn4)C[C@H]32)ccc1=O ZINC001577650322 1075310939 /nfs/dbraw/zinc/31/09/39/1075310939.db2.gz DUXHWBFJTYTJIS-QKDCVEJESA-N 1 2 385.428 -1.273 20 0 GAADLO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4c[nH]nn4)C[C@H]32)n(C)c1=O ZINC001577650508 1075310859 /nfs/dbraw/zinc/31/08/59/1075310859.db2.gz KZEIUQSOALZSPF-XYYAHUGASA-N 1 2 388.432 -1.934 20 0 GAADLO Cn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4c[nH]nn4)C[C@H]32)n(C)c1=O ZINC001577650508 1075310851 /nfs/dbraw/zinc/31/08/51/1075310851.db2.gz KZEIUQSOALZSPF-XYYAHUGASA-N 1 2 388.432 -1.934 20 0 GAADLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCc2cn[nH]n2)n(C)c1=O ZINC001577650656 1075311340 /nfs/dbraw/zinc/31/13/40/1075311340.db2.gz OZCBDUUDGQGNBT-GFCCVEGCSA-N 1 2 376.421 -1.648 20 0 GAADLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCc2cn[nH]n2)n(C)c1=O ZINC001577650656 1075311336 /nfs/dbraw/zinc/31/13/36/1075311336.db2.gz OZCBDUUDGQGNBT-GFCCVEGCSA-N 1 2 376.421 -1.648 20 0 GAADLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCc2cn[nH]n2)n(C)c1=O ZINC001577650657 1075311300 /nfs/dbraw/zinc/31/13/00/1075311300.db2.gz OZCBDUUDGQGNBT-LBPRGKRZSA-N 1 2 376.421 -1.648 20 0 GAADLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2cn[nH]n2)n(C)c1=O ZINC001577650657 1075311298 /nfs/dbraw/zinc/31/12/98/1075311298.db2.gz OZCBDUUDGQGNBT-LBPRGKRZSA-N 1 2 376.421 -1.648 20 0 GAADLO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577661486 1075312652 /nfs/dbraw/zinc/31/26/52/1075312652.db2.gz KACIYVSBIWIHCR-KRWDZBQOSA-N 1 2 389.416 -2.014 20 0 GAADLO Cn1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577661486 1075312649 /nfs/dbraw/zinc/31/26/49/1075312649.db2.gz KACIYVSBIWIHCR-KRWDZBQOSA-N 1 2 389.416 -2.014 20 0 GAADLO Cn1ccc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577661487 1075312768 /nfs/dbraw/zinc/31/27/68/1075312768.db2.gz KACIYVSBIWIHCR-QGZVFWFLSA-N 1 2 389.416 -2.014 20 0 GAADLO Cn1ccc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)cc1=O ZINC001577661487 1075312767 /nfs/dbraw/zinc/31/27/67/1075312767.db2.gz KACIYVSBIWIHCR-QGZVFWFLSA-N 1 2 389.416 -2.014 20 0 GAADLO CCC[N@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001577664772 1075314143 /nfs/dbraw/zinc/31/41/43/1075314143.db2.gz IIIJYQDLEXIVKP-JTQLQIEISA-N 1 2 377.409 -1.088 20 0 GAADLO CCC[N@@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001577664772 1075314141 /nfs/dbraw/zinc/31/41/41/1075314141.db2.gz IIIJYQDLEXIVKP-JTQLQIEISA-N 1 2 377.409 -1.088 20 0 GAADLO CCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001577664773 1075314237 /nfs/dbraw/zinc/31/42/37/1075314237.db2.gz IIIJYQDLEXIVKP-SNVBAGLBSA-N 1 2 377.409 -1.088 20 0 GAADLO CCC[N@@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001577664773 1075314233 /nfs/dbraw/zinc/31/42/33/1075314233.db2.gz IIIJYQDLEXIVKP-SNVBAGLBSA-N 1 2 377.409 -1.088 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672240 1075314697 /nfs/dbraw/zinc/31/46/97/1075314697.db2.gz JBJMESXXFKYXNH-CYBMUJFWSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672240 1075314691 /nfs/dbraw/zinc/31/46/91/1075314691.db2.gz JBJMESXXFKYXNH-CYBMUJFWSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@@H]([N@@H+](CCO)CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577672240 1075314685 /nfs/dbraw/zinc/31/46/85/1075314685.db2.gz JBJMESXXFKYXNH-CYBMUJFWSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@@H]([N@H+](CCO)CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577672240 1075314676 /nfs/dbraw/zinc/31/46/76/1075314676.db2.gz JBJMESXXFKYXNH-CYBMUJFWSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672243 1075315133 /nfs/dbraw/zinc/31/51/33/1075315133.db2.gz JBJMESXXFKYXNH-ZDUSSCGKSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@H]([N@H+](CCO)CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577672243 1075315127 /nfs/dbraw/zinc/31/51/27/1075315127.db2.gz JBJMESXXFKYXNH-ZDUSSCGKSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@H]([N@@H+](CCO)CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577672243 1075315122 /nfs/dbraw/zinc/31/51/22/1075315122.db2.gz JBJMESXXFKYXNH-ZDUSSCGKSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CCC[C@H]([N@H+](CCO)CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577672243 1075315117 /nfs/dbraw/zinc/31/51/17/1075315117.db2.gz JBJMESXXFKYXNH-ZDUSSCGKSA-N 1 2 391.436 -1.852 20 0 GAADLO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCc2c[nH]nn2)C3)cc1=O ZINC001577672455 1075315198 /nfs/dbraw/zinc/31/51/98/1075315198.db2.gz LDMKCMGSNRDGNR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCc2c[nH]nn2)C3)cc1=O ZINC001577672455 1075315196 /nfs/dbraw/zinc/31/51/96/1075315196.db2.gz LDMKCMGSNRDGNR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO Cn1cnc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCc2cn[nH]n2)C3)cc1=O ZINC001577672455 1075315191 /nfs/dbraw/zinc/31/51/91/1075315191.db2.gz LDMKCMGSNRDGNR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO Cn1cnc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCc2cn[nH]n2)C3)cc1=O ZINC001577672455 1075315189 /nfs/dbraw/zinc/31/51/89/1075315189.db2.gz LDMKCMGSNRDGNR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577675741 1075316110 /nfs/dbraw/zinc/31/61/10/1075316110.db2.gz CPUYODSUTYYDKK-BIMULSAOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577675741 1075316108 /nfs/dbraw/zinc/31/61/08/1075316108.db2.gz CPUYODSUTYYDKK-BIMULSAOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577675742 1075316185 /nfs/dbraw/zinc/31/61/85/1075316185.db2.gz CPUYODSUTYYDKK-OASPWFOLSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577675742 1075316182 /nfs/dbraw/zinc/31/61/82/1075316182.db2.gz CPUYODSUTYYDKK-OASPWFOLSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577675743 1075316077 /nfs/dbraw/zinc/31/60/77/1075316077.db2.gz CPUYODSUTYYDKK-WQAKAFBOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577675743 1075316075 /nfs/dbraw/zinc/31/60/75/1075316075.db2.gz CPUYODSUTYYDKK-WQAKAFBOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577675744 1075316006 /nfs/dbraw/zinc/31/60/06/1075316006.db2.gz CPUYODSUTYYDKK-ZWKOPEQDSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001577675744 1075316002 /nfs/dbraw/zinc/31/60/02/1075316002.db2.gz CPUYODSUTYYDKK-ZWKOPEQDSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577675950 1075316261 /nfs/dbraw/zinc/31/62/61/1075316261.db2.gz IGZTYVJMMSNZTL-OASPWFOLSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577675950 1075316254 /nfs/dbraw/zinc/31/62/54/1075316254.db2.gz IGZTYVJMMSNZTL-OASPWFOLSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577675951 1075316156 /nfs/dbraw/zinc/31/61/56/1075316156.db2.gz IGZTYVJMMSNZTL-ZWKOPEQDSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577675951 1075316151 /nfs/dbraw/zinc/31/61/51/1075316151.db2.gz IGZTYVJMMSNZTL-ZWKOPEQDSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577676521 1075316564 /nfs/dbraw/zinc/31/65/64/1075316564.db2.gz VVIGWWCXMVWIBT-BIMULSAOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577676521 1075316560 /nfs/dbraw/zinc/31/65/60/1075316560.db2.gz VVIGWWCXMVWIBT-BIMULSAOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001577676522 1075316489 /nfs/dbraw/zinc/31/64/89/1075316489.db2.gz VVIGWWCXMVWIBT-OASPWFOLSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001577676522 1075316486 /nfs/dbraw/zinc/31/64/86/1075316486.db2.gz VVIGWWCXMVWIBT-OASPWFOLSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577676523 1075316691 /nfs/dbraw/zinc/31/66/91/1075316691.db2.gz VVIGWWCXMVWIBT-WQAKAFBOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577676523 1075316689 /nfs/dbraw/zinc/31/66/89/1075316689.db2.gz VVIGWWCXMVWIBT-WQAKAFBOSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001577676524 1075316594 /nfs/dbraw/zinc/31/65/94/1075316594.db2.gz VVIGWWCXMVWIBT-ZWKOPEQDSA-N 1 2 376.421 -1.116 20 0 GAADLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001577676524 1075316591 /nfs/dbraw/zinc/31/65/91/1075316591.db2.gz VVIGWWCXMVWIBT-ZWKOPEQDSA-N 1 2 376.421 -1.116 20 0 GAADLO Cn1cnn(CC(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC(N)=O)CC2)c1=O ZINC001577678281 1075317420 /nfs/dbraw/zinc/31/74/20/1075317420.db2.gz MMMYVJOWNANKOE-UHFFFAOYSA-N 1 2 377.409 -2.322 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CC(=O)NCc2cn[nH]n2)C1 ZINC001577678358 1075317537 /nfs/dbraw/zinc/31/75/37/1075317537.db2.gz PIBAMNQZKGUYDF-CHWSQXEVSA-N 1 2 386.416 -1.325 20 0 GAADLO Cn1cnn(CC(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCc2cn[nH]n2)c1=O ZINC001577678604 1075318105 /nfs/dbraw/zinc/31/81/05/1075318105.db2.gz YDBYLNHTVDTJRL-GFCCVEGCSA-N 1 2 377.409 -2.403 20 0 GAADLO Cn1cnn(CC(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCc2cn[nH]n2)c1=O ZINC001577678604 1075318101 /nfs/dbraw/zinc/31/81/01/1075318101.db2.gz YDBYLNHTVDTJRL-GFCCVEGCSA-N 1 2 377.409 -2.403 20 0 GAADLO Cn1cnn(CC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCc2cn[nH]n2)c1=O ZINC001577678605 1075318068 /nfs/dbraw/zinc/31/80/68/1075318068.db2.gz YDBYLNHTVDTJRL-LBPRGKRZSA-N 1 2 377.409 -2.403 20 0 GAADLO Cn1cnn(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2cn[nH]n2)c1=O ZINC001577678605 1075318063 /nfs/dbraw/zinc/31/80/63/1075318063.db2.gz YDBYLNHTVDTJRL-LBPRGKRZSA-N 1 2 377.409 -2.403 20 0 GAADLO Cn1cnn(CCC(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC(N)=O)CC2)c1=O ZINC001577678642 1075318156 /nfs/dbraw/zinc/31/81/56/1075318156.db2.gz ZKCZASBGVZNSSZ-UHFFFAOYSA-N 1 2 391.436 -1.932 20 0 GAADLO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4c[nH]nn4)C[C@H]32)ccc1=O ZINC001577680076 1075318502 /nfs/dbraw/zinc/31/85/02/1075318502.db2.gz BITPCPBTAVRUKW-XYYAHUGASA-N 1 2 386.416 -1.878 20 0 GAADLO Cn1nc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4c[nH]nn4)C[C@H]32)ccc1=O ZINC001577680076 1075318498 /nfs/dbraw/zinc/31/84/98/1075318498.db2.gz BITPCPBTAVRUKW-XYYAHUGASA-N 1 2 386.416 -1.878 20 0 GAADLO Cn1cnnc1COCC(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001577680164 1075318397 /nfs/dbraw/zinc/31/83/97/1075318397.db2.gz FQSPRRBXFDJRTI-UHFFFAOYSA-N 1 2 377.453 -1.226 20 0 GAADLO Cn1nc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCc2c[nH]nn2)C3)ccc1=O ZINC001577680885 1075318820 /nfs/dbraw/zinc/31/88/20/1075318820.db2.gz XJZCCZLEHCYAAR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO Cn1nc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCc2c[nH]nn2)C3)ccc1=O ZINC001577680885 1075318813 /nfs/dbraw/zinc/31/88/13/1075318813.db2.gz XJZCCZLEHCYAAR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO Cn1nc(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCc2cn[nH]n2)C3)ccc1=O ZINC001577680885 1075318810 /nfs/dbraw/zinc/31/88/10/1075318810.db2.gz XJZCCZLEHCYAAR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO Cn1nc(C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCc2cn[nH]n2)C3)ccc1=O ZINC001577680885 1075318806 /nfs/dbraw/zinc/31/88/06/1075318806.db2.gz XJZCCZLEHCYAAR-UHFFFAOYSA-N 1 2 386.416 -1.637 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577681751 1075318841 /nfs/dbraw/zinc/31/88/41/1075318841.db2.gz GVHVNUQLMLVRSL-AAEUAGOBSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577681751 1075318834 /nfs/dbraw/zinc/31/88/34/1075318834.db2.gz GVHVNUQLMLVRSL-AAEUAGOBSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001577681752 1075319123 /nfs/dbraw/zinc/31/91/23/1075319123.db2.gz GVHVNUQLMLVRSL-DGCLKSJQSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001577681752 1075319120 /nfs/dbraw/zinc/31/91/20/1075319120.db2.gz GVHVNUQLMLVRSL-DGCLKSJQSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001577681753 1075319038 /nfs/dbraw/zinc/31/90/38/1075319038.db2.gz GVHVNUQLMLVRSL-WCQYABFASA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001577681753 1075319034 /nfs/dbraw/zinc/31/90/34/1075319034.db2.gz GVHVNUQLMLVRSL-WCQYABFASA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577681754 1075319086 /nfs/dbraw/zinc/31/90/86/1075319086.db2.gz GVHVNUQLMLVRSL-YPMHNXCESA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001577681754 1075319083 /nfs/dbraw/zinc/31/90/83/1075319083.db2.gz GVHVNUQLMLVRSL-YPMHNXCESA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001577681759 1075318935 /nfs/dbraw/zinc/31/89/35/1075318935.db2.gz GXXRLDVTAKHBSU-AAEUAGOBSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001577681759 1075318931 /nfs/dbraw/zinc/31/89/31/1075318931.db2.gz GXXRLDVTAKHBSU-AAEUAGOBSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001577681760 1075318868 /nfs/dbraw/zinc/31/88/68/1075318868.db2.gz GXXRLDVTAKHBSU-DGCLKSJQSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001577681760 1075318864 /nfs/dbraw/zinc/31/88/64/1075318864.db2.gz GXXRLDVTAKHBSU-DGCLKSJQSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001577681761 1075318915 /nfs/dbraw/zinc/31/89/15/1075318915.db2.gz GXXRLDVTAKHBSU-WCQYABFASA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001577681761 1075318912 /nfs/dbraw/zinc/31/89/12/1075318912.db2.gz GXXRLDVTAKHBSU-WCQYABFASA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001577681762 1075318989 /nfs/dbraw/zinc/31/89/89/1075318989.db2.gz GXXRLDVTAKHBSU-YPMHNXCESA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001577681762 1075318985 /nfs/dbraw/zinc/31/89/85/1075318985.db2.gz GXXRLDVTAKHBSU-YPMHNXCESA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577681796 1075319379 /nfs/dbraw/zinc/31/93/79/1075319379.db2.gz IQNDSJLQFOTEIH-GWCFXTLKSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577681796 1075319372 /nfs/dbraw/zinc/31/93/72/1075319372.db2.gz IQNDSJLQFOTEIH-GWCFXTLKSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001577681797 1075319561 /nfs/dbraw/zinc/31/95/61/1075319561.db2.gz IQNDSJLQFOTEIH-GXFFZTMASA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001577681797 1075319558 /nfs/dbraw/zinc/31/95/58/1075319558.db2.gz IQNDSJLQFOTEIH-GXFFZTMASA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577681798 1075319525 /nfs/dbraw/zinc/31/95/25/1075319525.db2.gz IQNDSJLQFOTEIH-MFKMUULPSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001577681798 1075319521 /nfs/dbraw/zinc/31/95/21/1075319521.db2.gz IQNDSJLQFOTEIH-MFKMUULPSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001577681799 1075319400 /nfs/dbraw/zinc/31/94/00/1075319400.db2.gz IQNDSJLQFOTEIH-ZWNOBZJWSA-N 1 2 376.421 -1.114 20 0 GAADLO CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001577681799 1075319394 /nfs/dbraw/zinc/31/93/94/1075319394.db2.gz IQNDSJLQFOTEIH-ZWNOBZJWSA-N 1 2 376.421 -1.114 20 0 GAADLO Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)c2ccc(-c3c[nH]nn3)nc2)nc1=O ZINC001577683109 1075319438 /nfs/dbraw/zinc/31/94/38/1075319438.db2.gz DMRKTYYJQIFJAK-UHFFFAOYSA-N 1 2 387.404 -1.487 20 0 GAADLO Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)c2ccc(-c3cn[nH]n3)nc2)nc1=O ZINC001577683109 1075319434 /nfs/dbraw/zinc/31/94/34/1075319434.db2.gz DMRKTYYJQIFJAK-UHFFFAOYSA-N 1 2 387.404 -1.487 20 0 GAADLO Cn1[nH]c(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C2CC2)nc1=O ZINC001577683331 1075319537 /nfs/dbraw/zinc/31/95/37/1075319537.db2.gz LMRLJXFKJICLTG-KBPBESRZSA-N 1 2 389.464 -1.125 20 0 GAADLO Cn1[nH]c(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C2CC2)nc1=O ZINC001577683331 1075319534 /nfs/dbraw/zinc/31/95/34/1075319534.db2.gz LMRLJXFKJICLTG-KBPBESRZSA-N 1 2 389.464 -1.125 20 0 GAADLO Cn1[nH]c(C[NH2+][C@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C2CC2)nc1=O ZINC001577683332 1075319429 /nfs/dbraw/zinc/31/94/29/1075319429.db2.gz LMRLJXFKJICLTG-KGLIPLIRSA-N 1 2 389.464 -1.125 20 0 GAADLO Cn1[nH]c(C[NH2+][C@H](CNC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C2CC2)nc1=O ZINC001577683332 1075319426 /nfs/dbraw/zinc/31/94/26/1075319426.db2.gz LMRLJXFKJICLTG-KGLIPLIRSA-N 1 2 389.464 -1.125 20 0 GAADLO Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)c2ccc(-c3cn[nH]n3)cn2)nc1=O ZINC001577683387 1075319962 /nfs/dbraw/zinc/31/99/62/1075319962.db2.gz NNHJVXSQIHSWNI-UHFFFAOYSA-N 1 2 387.404 -1.487 20 0 GAADLO Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)c2ccc(-c3c[nH]nn3)cn2)nc1=O ZINC001577683387 1075319959 /nfs/dbraw/zinc/31/99/59/1075319959.db2.gz NNHJVXSQIHSWNI-UHFFFAOYSA-N 1 2 387.404 -1.487 20 0 GAADLO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)nc1=O ZINC001577683450 1075319924 /nfs/dbraw/zinc/31/99/24/1075319924.db2.gz PFOQWONCYUURNU-JSGCOSHPSA-N 1 2 389.464 -1.171 20 0 GAADLO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3Cc3cn[nH]n3)C2)nc1=O ZINC001577683450 1075319918 /nfs/dbraw/zinc/31/99/18/1075319918.db2.gz PFOQWONCYUURNU-JSGCOSHPSA-N 1 2 389.464 -1.171 20 0 GAADLO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)nc1=O ZINC001577683451 1075320068 /nfs/dbraw/zinc/32/00/68/1075320068.db2.gz PFOQWONCYUURNU-OCCSQVGLSA-N 1 2 389.464 -1.171 20 0 GAADLO Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3Cc3cn[nH]n3)C2)nc1=O ZINC001577683451 1075320066 /nfs/dbraw/zinc/32/00/66/1075320066.db2.gz PFOQWONCYUURNU-OCCSQVGLSA-N 1 2 389.464 -1.171 20 0 GAADLO Cn1nnc(C(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC(=O)NC(N)=O)CC2)n1 ZINC001577691590 1075321244 /nfs/dbraw/zinc/32/12/44/1075321244.db2.gz NPTJGFFOSFTIGE-UHFFFAOYSA-N 1 2 391.396 -2.370 20 0 GAADLO Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)[C@@H](O)C1 ZINC001577691793 1075321677 /nfs/dbraw/zinc/32/16/77/1075321677.db2.gz UMEWDTRBMYUMED-IKGGRYGDSA-N 1 2 388.476 -1.093 20 0 GAADLO Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)[C@@H](O)C1 ZINC001577691793 1075321675 /nfs/dbraw/zinc/32/16/75/1075321675.db2.gz UMEWDTRBMYUMED-IKGGRYGDSA-N 1 2 388.476 -1.093 20 0 GAADLO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CCO1 ZINC001577691842 1075321708 /nfs/dbraw/zinc/32/17/08/1075321708.db2.gz VRWWWVYMWXHFNU-CABCVRRESA-N 1 2 389.464 -1.085 20 0 GAADLO Cn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)CCO1 ZINC001577691842 1075321706 /nfs/dbraw/zinc/32/17/06/1075321706.db2.gz VRWWWVYMWXHFNU-CABCVRRESA-N 1 2 389.464 -1.085 20 0 GAADLO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CCO1 ZINC001577691843 1075321755 /nfs/dbraw/zinc/32/17/55/1075321755.db2.gz VRWWWVYMWXHFNU-GJZGRUSLSA-N 1 2 389.464 -1.085 20 0 GAADLO Cn1ncnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)CCO1 ZINC001577691843 1075321753 /nfs/dbraw/zinc/32/17/53/1075321753.db2.gz VRWWWVYMWXHFNU-GJZGRUSLSA-N 1 2 389.464 -1.085 20 0 GAADLO Cn1nnc(C(=O)N2C[C@]3(C)C[N@@H+](CC(=O)NCc4cn[nH]n4)C[C@]3(C)C2)n1 ZINC001577693628 1075322049 /nfs/dbraw/zinc/32/20/49/1075322049.db2.gz DSZOYZWJQOXIPV-IYBDPMFKSA-N 1 2 388.436 -1.571 20 0 GAADLO Cn1nnc(C(=O)N2C[C@]3(C)C[N@H+](CC(=O)NCc4cn[nH]n4)C[C@]3(C)C2)n1 ZINC001577693628 1075322043 /nfs/dbraw/zinc/32/20/43/1075322043.db2.gz DSZOYZWJQOXIPV-IYBDPMFKSA-N 1 2 388.436 -1.571 20 0 GAADLO Cn1nnnc1CN1CC[NH+](CCNC(=O)CCOCc2cn[nH]n2)CC1 ZINC001577695992 1075323880 /nfs/dbraw/zinc/32/38/80/1075323880.db2.gz CUZCWHNSAZSQMM-UHFFFAOYSA-N 1 2 378.441 -1.831 20 0 GAADLO NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC001577721196 1075325410 /nfs/dbraw/zinc/32/54/10/1075325410.db2.gz AVABMCBUTJHZME-KRWDZBQOSA-N 1 2 387.400 -1.552 20 0 GAADLO NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC001577721196 1075325405 /nfs/dbraw/zinc/32/54/05/1075325405.db2.gz AVABMCBUTJHZME-KRWDZBQOSA-N 1 2 387.400 -1.552 20 0 GAADLO NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC001577721197 1075325501 /nfs/dbraw/zinc/32/55/01/1075325501.db2.gz AVABMCBUTJHZME-QGZVFWFLSA-N 1 2 387.400 -1.552 20 0 GAADLO NC(=O)C(=O)NC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(-c3c[nH]nn3)c2)C1 ZINC001577721197 1075325496 /nfs/dbraw/zinc/32/54/96/1075325496.db2.gz AVABMCBUTJHZME-QGZVFWFLSA-N 1 2 387.400 -1.552 20 0 GAADLO NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001577721318 1075325447 /nfs/dbraw/zinc/32/54/47/1075325447.db2.gz GDIXMMGWWJCGGG-UHFFFAOYSA-N 1 2 386.416 -1.338 20 0 GAADLO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)c2ccc(-c3c[nH]nn3)cn2)CC1 ZINC001577721751 1075326271 /nfs/dbraw/zinc/32/62/71/1075326271.db2.gz UESNNYIFRWICLU-UHFFFAOYSA-N 1 2 386.416 -1.384 20 0 GAADLO NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724084 1075326941 /nfs/dbraw/zinc/32/69/41/1075326941.db2.gz IHLIXDNMFZFIBX-CXKPUVAFSA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724084 1075326937 /nfs/dbraw/zinc/32/69/37/1075326937.db2.gz IHLIXDNMFZFIBX-CXKPUVAFSA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724085 1075327056 /nfs/dbraw/zinc/32/70/56/1075327056.db2.gz IHLIXDNMFZFIBX-LWTNXATQSA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724085 1075327053 /nfs/dbraw/zinc/32/70/53/1075327053.db2.gz IHLIXDNMFZFIBX-LWTNXATQSA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724086 1075327003 /nfs/dbraw/zinc/32/70/03/1075327003.db2.gz IHLIXDNMFZFIBX-MPRPFWIISA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724086 1075326999 /nfs/dbraw/zinc/32/69/99/1075326999.db2.gz IHLIXDNMFZFIBX-MPRPFWIISA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724087 1075327032 /nfs/dbraw/zinc/32/70/32/1075327032.db2.gz IHLIXDNMFZFIBX-OYCUPVHPSA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCc4cn[nH]n4)C[C@H]32)C1 ZINC001577724087 1075327028 /nfs/dbraw/zinc/32/70/28/1075327028.db2.gz IHLIXDNMFZFIBX-OYCUPVHPSA-N 1 2 389.460 -1.241 20 0 GAADLO NC(=O)C1([NH2+]CC(=O)N2CCN(Cc3cn[nH]n3)CC2)CCS(=O)(=O)CC1 ZINC001577724232 1075327471 /nfs/dbraw/zinc/32/74/71/1075327471.db2.gz LYVOFVPHIDCDQC-UHFFFAOYSA-N 1 2 399.477 -2.529 20 0 GAADLO NC(=O)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)c2nc3ncccn3n2)CC1 ZINC001577727206 1075328542 /nfs/dbraw/zinc/32/85/42/1075328542.db2.gz HEAZAPNRTXCXKM-UHFFFAOYSA-N 1 2 384.404 -1.166 20 0 GAADLO NC(=O)CCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)CC[C@@H]2C1 ZINC001577727422 1075328475 /nfs/dbraw/zinc/32/84/75/1075328475.db2.gz KIQJNPHNDMEWLF-OLZOCXBDSA-N 1 2 377.449 -1.143 20 0 GAADLO NC(=O)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)CN2C(=O)CNC2=O)CC1 ZINC001577727934 1075328912 /nfs/dbraw/zinc/32/89/12/1075328912.db2.gz QZXWASITLBOVLE-UHFFFAOYSA-N 1 2 378.393 -2.365 20 0 GAADLO NC(=O)CCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577728343 1075328932 /nfs/dbraw/zinc/32/89/32/1075328932.db2.gz XHAHOBKFBDUYJP-GXTWGEPZSA-N 1 2 377.449 -1.001 20 0 GAADLO NC(=O)CCCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577728343 1075328928 /nfs/dbraw/zinc/32/89/28/1075328928.db2.gz XHAHOBKFBDUYJP-GXTWGEPZSA-N 1 2 377.449 -1.001 20 0 GAADLO NC(=O)CCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577728343 1075328926 /nfs/dbraw/zinc/32/89/26/1075328926.db2.gz XHAHOBKFBDUYJP-GXTWGEPZSA-N 1 2 377.449 -1.001 20 0 GAADLO NC(=O)CCCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577728343 1075328923 /nfs/dbraw/zinc/32/89/23/1075328923.db2.gz XHAHOBKFBDUYJP-GXTWGEPZSA-N 1 2 377.449 -1.001 20 0 GAADLO NC(=O)NC(=O)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)Cn2cccn2)CC1 ZINC001577730145 1075329506 /nfs/dbraw/zinc/32/95/06/1075329506.db2.gz BQIGMBZRVFJRNL-UHFFFAOYSA-N 1 2 389.420 -1.311 20 0 GAADLO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577730535 1075329939 /nfs/dbraw/zinc/32/99/39/1075329939.db2.gz MZNVEAVQXNHFMN-COMQUAJESA-N 1 2 390.448 -1.600 20 0 GAADLO NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577730535 1075329935 /nfs/dbraw/zinc/32/99/35/1075329935.db2.gz MZNVEAVQXNHFMN-COMQUAJESA-N 1 2 390.448 -1.600 20 0 GAADLO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577730536 1075330453 /nfs/dbraw/zinc/33/04/53/1075330453.db2.gz MZNVEAVQXNHFMN-SFDCQRBFSA-N 1 2 390.448 -1.600 20 0 GAADLO NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577730536 1075330447 /nfs/dbraw/zinc/33/04/47/1075330447.db2.gz MZNVEAVQXNHFMN-SFDCQRBFSA-N 1 2 390.448 -1.600 20 0 GAADLO NC(=O)Cn1cc(C(=O)N2CCN(C3C[NH+](CCc4cn[nH]n4)C3)CC2)nn1 ZINC001577730553 1075330324 /nfs/dbraw/zinc/33/03/24/1075330324.db2.gz NLCWGESOHRLHLC-UHFFFAOYSA-N 1 2 388.436 -2.434 20 0 GAADLO NC(=O)NC(=O)C[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001577730605 1075330314 /nfs/dbraw/zinc/33/03/14/1075330314.db2.gz PLXHXJJJQAWBSF-LBPRGKRZSA-N 1 2 392.420 -1.929 20 0 GAADLO NC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](CC(=O)NCc3cn[nH]n3)CC2)C1 ZINC001577730848 1075330852 /nfs/dbraw/zinc/33/08/52/1075330852.db2.gz YLFJFDFOKGBRJT-GFCCVEGCSA-N 1 2 392.464 -1.208 20 0 GAADLO NC(=O)N1CCC[C@H](C(=O)NC2CC[NH+](CC(=O)NCc3cn[nH]n3)CC2)C1 ZINC001577730849 1075330796 /nfs/dbraw/zinc/33/07/96/1075330796.db2.gz YLFJFDFOKGBRJT-LBPRGKRZSA-N 1 2 392.464 -1.208 20 0 GAADLO NC(=O)N1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCc3cn[nH]n3)C2)CC1 ZINC001577730892 1075330706 /nfs/dbraw/zinc/33/07/06/1075330706.db2.gz ZRCUTZDRQVIFRS-HNNXBMFYSA-N 1 2 376.465 -1.281 20 0 GAADLO NC(=O)NCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577732477 1075331293 /nfs/dbraw/zinc/33/12/93/1075331293.db2.gz CIAJOGDHMAIMDU-WCQYABFASA-N 1 2 378.437 -1.598 20 0 GAADLO NC(=O)NCCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577732477 1075331289 /nfs/dbraw/zinc/33/12/89/1075331289.db2.gz CIAJOGDHMAIMDU-WCQYABFASA-N 1 2 378.437 -1.598 20 0 GAADLO NC(=O)NCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577732477 1075331285 /nfs/dbraw/zinc/33/12/85/1075331285.db2.gz CIAJOGDHMAIMDU-WCQYABFASA-N 1 2 378.437 -1.598 20 0 GAADLO NC(=O)NCCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577732477 1075331283 /nfs/dbraw/zinc/33/12/83/1075331283.db2.gz CIAJOGDHMAIMDU-WCQYABFASA-N 1 2 378.437 -1.598 20 0 GAADLO NC(=O)NCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)CC[C@@H]2C1 ZINC001577732511 1075331258 /nfs/dbraw/zinc/33/12/58/1075331258.db2.gz FBDKYGPQYYFBLT-NEPJUHHUSA-N 1 2 378.437 -1.740 20 0 GAADLO NC(=O)NCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCc3c[nH]nn3)CC[C@@H]2C1 ZINC001577732511 1075331256 /nfs/dbraw/zinc/33/12/56/1075331256.db2.gz FBDKYGPQYYFBLT-NEPJUHHUSA-N 1 2 378.437 -1.740 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CC(=O)NCc3cn[nH]n3)CC2)C1 ZINC001577732728 1075331609 /nfs/dbraw/zinc/33/16/09/1075331609.db2.gz LZKQNSNXSUTTLH-NEPJUHHUSA-N 1 2 377.449 -1.097 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577732838 1075331647 /nfs/dbraw/zinc/33/16/47/1075331647.db2.gz OGFLLPOLLBZCHG-DYEKYZERSA-N 1 2 377.449 -1.097 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577732838 1075331644 /nfs/dbraw/zinc/33/16/44/1075331644.db2.gz OGFLLPOLLBZCHG-DYEKYZERSA-N 1 2 377.449 -1.097 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577732840 1075331692 /nfs/dbraw/zinc/33/16/92/1075331692.db2.gz OGFLLPOLLBZCHG-MBNYWOFBSA-N 1 2 377.449 -1.097 20 0 GAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001577732840 1075331689 /nfs/dbraw/zinc/33/16/89/1075331689.db2.gz OGFLLPOLLBZCHG-MBNYWOFBSA-N 1 2 377.449 -1.097 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1c[nH]nn1)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001577735168 1075333434 /nfs/dbraw/zinc/33/34/34/1075333434.db2.gz KUXZUKGTIZDAKL-ILXRZTDVSA-N 1 2 389.460 -1.002 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1c[nH]nn1)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001577735169 1075333365 /nfs/dbraw/zinc/33/33/65/1075333365.db2.gz KUXZUKGTIZDAKL-QLFBSQMISA-N 1 2 389.460 -1.002 20 0 GAADLO NC(=O)c1cccc(C(=O)NC2CC[NH+](CC(=O)NCc3cn[nH]n3)CC2)n1 ZINC001577737360 1075334352 /nfs/dbraw/zinc/33/43/52/1075334352.db2.gz FBNFDUFOQOYRRV-UHFFFAOYSA-N 1 2 386.416 -1.191 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577737704 1075334289 /nfs/dbraw/zinc/33/42/89/1075334289.db2.gz QEVJIQGOMFDTIF-LLVKDONJSA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577737704 1075334286 /nfs/dbraw/zinc/33/42/86/1075334286.db2.gz QEVJIQGOMFDTIF-LLVKDONJSA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577737704 1075334281 /nfs/dbraw/zinc/33/42/81/1075334281.db2.gz QEVJIQGOMFDTIF-LLVKDONJSA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577737704 1075334277 /nfs/dbraw/zinc/33/42/77/1075334277.db2.gz QEVJIQGOMFDTIF-LLVKDONJSA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577737705 1075334323 /nfs/dbraw/zinc/33/43/23/1075334323.db2.gz QEVJIQGOMFDTIF-NSHDSACASA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577737705 1075334319 /nfs/dbraw/zinc/33/43/19/1075334319.db2.gz QEVJIQGOMFDTIF-NSHDSACASA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577737705 1075334313 /nfs/dbraw/zinc/33/43/13/1075334313.db2.gz QEVJIQGOMFDTIF-NSHDSACASA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCc3cn[nH]n3)C2)n1 ZINC001577737705 1075334307 /nfs/dbraw/zinc/33/43/07/1075334307.db2.gz QEVJIQGOMFDTIF-NSHDSACASA-N 1 2 386.416 -1.333 20 0 GAADLO NC(=O)c1nccnc1C(=O)NCCC[NH+]1CCN(CCc2cn[nH]n2)CC1 ZINC001577739900 1075334854 /nfs/dbraw/zinc/33/48/54/1075334854.db2.gz DDBPLUJTIHYTDI-UHFFFAOYSA-N 1 2 387.448 -1.326 20 0 GAADLO NC(=O)c1ncn(CC(=O)NCCC[NH+]2CCN(Cc3c[nH]nn3)CC2)n1 ZINC001577740713 1075335529 /nfs/dbraw/zinc/33/55/29/1075335529.db2.gz SRODQPAJUWBVRW-UHFFFAOYSA-N 1 2 376.425 -2.181 20 0 GAADLO NC(=O)c1nccnc1C(=O)NCC[N@@H+](CC(=O)NCc1cn[nH]n1)C1CC1 ZINC001577740727 1075335595 /nfs/dbraw/zinc/33/55/95/1075335595.db2.gz UHBVQJUEEDCCAB-UHFFFAOYSA-N 1 2 387.404 -1.796 20 0 GAADLO NC(=O)c1nccnc1C(=O)NCC[N@H+](CC(=O)NCc1cn[nH]n1)C1CC1 ZINC001577740727 1075335590 /nfs/dbraw/zinc/33/55/90/1075335590.db2.gz UHBVQJUEEDCCAB-UHFFFAOYSA-N 1 2 387.404 -1.796 20 0 GAADLO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740956 1075335773 /nfs/dbraw/zinc/33/57/73/1075335773.db2.gz YXAFZQUCHSBNEX-JTQLQIEISA-N 1 2 390.408 -2.750 20 0 GAADLO NC(=O)c1ncn(CC(=O)NC[C@@H]2CC[N@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740956 1075335768 /nfs/dbraw/zinc/33/57/68/1075335768.db2.gz YXAFZQUCHSBNEX-JTQLQIEISA-N 1 2 390.408 -2.750 20 0 GAADLO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740957 1075335651 /nfs/dbraw/zinc/33/56/51/1075335651.db2.gz YXAFZQUCHSBNEX-SNVBAGLBSA-N 1 2 390.408 -2.750 20 0 GAADLO NC(=O)c1ncn(CC(=O)NC[C@H]2CC[N@H+](CC(=O)NCc3c[nH]nn3)C2)n1 ZINC001577740957 1075335645 /nfs/dbraw/zinc/33/56/45/1075335645.db2.gz YXAFZQUCHSBNEX-SNVBAGLBSA-N 1 2 390.408 -2.750 20 0 GAADLO NC(=O)c1nccnc1C(=O)N1CCN(C2C[NH+](CCc3cn[nH]n3)C2)CC1 ZINC001577740993 1075335621 /nfs/dbraw/zinc/33/56/21/1075335621.db2.gz ZZHSBCZVVYZDQX-UHFFFAOYSA-N 1 2 385.432 -1.622 20 0 GAADLO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC(OCCC[NH2+]Cc2cn[nH]n2)CC1 ZINC001577759184 1075336192 /nfs/dbraw/zinc/33/61/92/1075336192.db2.gz SHGCOGDTPTXLPJ-AWEZNQCLSA-N 1 2 386.478 -1.016 20 0 GAADLO O=C([C@@H]1CCS(=O)(=O)N1)N1CCC(OCCC[NH2+]Cc2c[nH]nn2)CC1 ZINC001577759184 1075336188 /nfs/dbraw/zinc/33/61/88/1075336188.db2.gz SHGCOGDTPTXLPJ-AWEZNQCLSA-N 1 2 386.478 -1.016 20 0 GAADLO O=C([C@H]1CCS(=O)(=O)N1)N1CCC(OCCC[NH2+]Cc2cn[nH]n2)CC1 ZINC001577759186 1075336104 /nfs/dbraw/zinc/33/61/04/1075336104.db2.gz 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376.421 -1.162 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577880008 1075351716 /nfs/dbraw/zinc/35/17/16/1075351716.db2.gz QJYFZKSRJVUKAH-CHWSQXEVSA-N 1 2 376.421 -1.162 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001577880008 1075351714 /nfs/dbraw/zinc/35/17/14/1075351714.db2.gz QJYFZKSRJVUKAH-CHWSQXEVSA-N 1 2 376.421 -1.162 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001577880009 1075351659 /nfs/dbraw/zinc/35/16/59/1075351659.db2.gz QJYFZKSRJVUKAH-OLZOCXBDSA-N 1 2 376.421 -1.162 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001577880009 1075351655 /nfs/dbraw/zinc/35/16/55/1075351655.db2.gz QJYFZKSRJVUKAH-OLZOCXBDSA-N 1 2 376.421 -1.162 20 0 GAADLO O=C(CCOCc1cn[nH]n1)NC[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001577881174 1075351928 /nfs/dbraw/zinc/35/19/28/1075351928.db2.gz ABIKUDDXMDKQAY-DOMZBBRYSA-N 1 2 391.432 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O=C(CCOCc1cn[nH]n1)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001577881588 1075351813 /nfs/dbraw/zinc/35/18/13/1075351813.db2.gz HRVKGBIRYRIZAK-UONOGXRCSA-N 1 2 377.405 -1.314 20 0 GAADLO O=C(CCOCc1cn[nH]n1)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001577881589 1075351769 /nfs/dbraw/zinc/35/17/69/1075351769.db2.gz HRVKGBIRYRIZAK-ZIAGYGMSSA-N 1 2 377.405 -1.314 20 0 GAADLO CC[NH+](CC)CC(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001577885433 1075353107 /nfs/dbraw/zinc/35/31/07/1075353107.db2.gz CAIMSCMPYKNWDP-UHFFFAOYSA-N 1 2 391.436 -1.756 20 0 GAADLO O=C(CCOCc1cn[nH]n1)NCCC[NH+]1CCN([C@H]2CCNC2=O)CC1 ZINC001577887310 1075353030 /nfs/dbraw/zinc/35/30/30/1075353030.db2.gz BJHVOERQAXXZFU-HNNXBMFYSA-N 1 2 379.465 -1.276 20 0 GAADLO O=C(CCOCc1cn[nH]n1)NCCC[NH+]1CCN([C@@H]2CCNC2=O)CC1 ZINC001577887311 1075353083 /nfs/dbraw/zinc/35/30/83/1075353083.db2.gz BJHVOERQAXXZFU-OAHLLOKOSA-N 1 2 379.465 -1.276 20 0 GAADLO O=C(CCOCc1cn[nH]n1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O 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O=C(CCn1cnnn1)NC[C@H]1CCC[N@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577913769 1075355736 /nfs/dbraw/zinc/35/57/36/1075355736.db2.gz IZGSAGYNLZLUJE-GFCCVEGCSA-N 1 2 376.425 -1.674 20 0 GAADLO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@@H+](CC(=O)NCc2c[nH]nn2)C1 ZINC001577913770 1075355490 /nfs/dbraw/zinc/35/54/90/1075355490.db2.gz IZGSAGYNLZLUJE-LBPRGKRZSA-N 1 2 376.425 -1.674 20 0 GAADLO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+](CC(=O)NCc2c[nH]nn2)C1 ZINC001577913770 1075355485 /nfs/dbraw/zinc/35/54/85/1075355485.db2.gz IZGSAGYNLZLUJE-LBPRGKRZSA-N 1 2 376.425 -1.674 20 0 GAADLO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577913770 1075355480 /nfs/dbraw/zinc/35/54/80/1075355480.db2.gz IZGSAGYNLZLUJE-LBPRGKRZSA-N 1 2 376.425 -1.674 20 0 GAADLO O=C(CCn1cnnn1)NC[C@@H]1CCC[N@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577913770 1075355476 /nfs/dbraw/zinc/35/54/76/1075355476.db2.gz IZGSAGYNLZLUJE-LBPRGKRZSA-N 1 2 376.425 -1.674 20 0 GAADLO O=C(C[N@@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1)NCc1cn[nH]n1 ZINC001577914269 1075356163 /nfs/dbraw/zinc/35/61/63/1075356163.db2.gz NIPZNBURNXRVQN-GFCCVEGCSA-N 1 2 385.450 -2.307 20 0 GAADLO O=C(C[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1)NCc1cn[nH]n1 ZINC001577914269 1075356158 /nfs/dbraw/zinc/35/61/58/1075356158.db2.gz NIPZNBURNXRVQN-GFCCVEGCSA-N 1 2 385.450 -2.307 20 0 GAADLO O=C(C[N@@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1)NCc1cn[nH]n1 ZINC001577914275 1075356277 /nfs/dbraw/zinc/35/62/77/1075356277.db2.gz NIPZNBURNXRVQN-LBPRGKRZSA-N 1 2 385.450 -2.307 20 0 GAADLO O=C(C[N@H+](CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1)NCc1cn[nH]n1 ZINC001577914275 1075356274 /nfs/dbraw/zinc/35/62/74/1075356274.db2.gz NIPZNBURNXRVQN-LBPRGKRZSA-N 1 2 385.450 -2.307 20 0 GAADLO O=C(CN1C(=O)CNC1=O)NC[C@H]1CCC[N@H+]1CC(=O)NCc1cn[nH]n1 ZINC001577914309 1075356245 /nfs/dbraw/zinc/35/62/45/1075356245.db2.gz NTDSQCAWIKSFGZ-LLVKDONJSA-N 1 2 378.393 -2.447 20 0 GAADLO O=C(CN1C(=O)CNC1=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1cn[nH]n1 ZINC001577914309 1075356243 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O=C(CN1CCOCC1)NCCC1=CC[N@@H+](CC(=O)NCc2cn[nH]n2)CC1 ZINC001577918123 1075358312 /nfs/dbraw/zinc/35/83/12/1075358312.db2.gz PZPHDSXTLWYZKT-UHFFFAOYSA-N 1 2 391.476 -1.109 20 0 GAADLO O=C(CN1CCOCC1)NCCC1=CC[N@H+](CC(=O)NCc2cn[nH]n2)CC1 ZINC001577918123 1075358310 /nfs/dbraw/zinc/35/83/10/1075358310.db2.gz PZPHDSXTLWYZKT-UHFFFAOYSA-N 1 2 391.476 -1.109 20 0 GAADLO O=C(Cn1ccccc1=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577918167 1075358242 /nfs/dbraw/zinc/35/82/42/1075358242.db2.gz RIHMVABOGRGXJK-QKDCVEJESA-N 1 2 385.428 -1.423 20 0 GAADLO O=C(Cn1ccccc1=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577918167 1075358238 /nfs/dbraw/zinc/35/82/38/1075358238.db2.gz RIHMVABOGRGXJK-QKDCVEJESA-N 1 2 385.428 -1.423 20 0 GAADLO O=C(C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(=O)NCC3CC3)[C@@H]2C1)NCc1c[nH]nn1 ZINC001577918213 1075358263 /nfs/dbraw/zinc/35/82/63/1075358263.db2.gz SKIBWAXGGVGPOY-ZSOGYDGISA-N 1 2 375.433 -1.759 20 0 GAADLO 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O=C(C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577919764 1075359111 /nfs/dbraw/zinc/35/91/11/1075359111.db2.gz CMWXFVZFTAZIGS-QWHCGFSZSA-N 1 2 375.433 -1.330 20 0 GAADLO O=C(C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577919765 1075359022 /nfs/dbraw/zinc/35/90/22/1075359022.db2.gz CMWXFVZFTAZIGS-STQMWFEESA-N 1 2 375.433 -1.330 20 0 GAADLO O=C(C[C@H]1CC(=O)NC1=O)NC1CC[NH+](CC(=O)NCc2cn[nH]n2)CC1 ZINC001577919929 1075358981 /nfs/dbraw/zinc/35/89/81/1075358981.db2.gz FLWUAHGGEKOZSP-JTQLQIEISA-N 1 2 377.405 -1.946 20 0 GAADLO O=C(C[C@@H]1CC(=O)NC1=O)NC1CC[NH+](CC(=O)NCc2cn[nH]n2)CC1 ZINC001577919931 1075359475 /nfs/dbraw/zinc/35/94/75/1075359475.db2.gz FLWUAHGGEKOZSP-SNVBAGLBSA-N 1 2 377.405 -1.946 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1c[nH]nn1 ZINC001577919987 1075359557 /nfs/dbraw/zinc/35/95/57/1075359557.db2.gz GQJPDQPWRXDGJE-CYBMUJFWSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1c[nH]nn1 ZINC001577919987 1075359554 /nfs/dbraw/zinc/35/95/54/1075359554.db2.gz GQJPDQPWRXDGJE-CYBMUJFWSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1cn[nH]n1 ZINC001577919987 1075359548 /nfs/dbraw/zinc/35/95/48/1075359548.db2.gz GQJPDQPWRXDGJE-CYBMUJFWSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1cn[nH]n1 ZINC001577919987 1075359546 /nfs/dbraw/zinc/35/95/46/1075359546.db2.gz GQJPDQPWRXDGJE-CYBMUJFWSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1c[nH]nn1 ZINC001577919988 1075359649 /nfs/dbraw/zinc/35/96/49/1075359649.db2.gz GQJPDQPWRXDGJE-ZDUSSCGKSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1c[nH]nn1 ZINC001577919988 1075359645 /nfs/dbraw/zinc/35/96/45/1075359645.db2.gz GQJPDQPWRXDGJE-ZDUSSCGKSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1cn[nH]n1 ZINC001577919988 1075359640 /nfs/dbraw/zinc/35/96/40/1075359640.db2.gz GQJPDQPWRXDGJE-ZDUSSCGKSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](N2CCN(C(=O)c3cnon3)CC2)C1)NCc1cn[nH]n1 ZINC001577919988 1075359636 /nfs/dbraw/zinc/35/96/36/1075359636.db2.gz GQJPDQPWRXDGJE-ZDUSSCGKSA-N 1 2 389.420 -1.664 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1)NCc1c[nH]nn1 ZINC001577920295 1075359396 /nfs/dbraw/zinc/35/93/96/1075359396.db2.gz LEKUVIAWAIOURL-UHFFFAOYSA-N 1 2 390.448 -1.630 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1)NCc1c[nH]nn1 ZINC001577920295 1075359392 /nfs/dbraw/zinc/35/93/92/1075359392.db2.gz LEKUVIAWAIOURL-UHFFFAOYSA-N 1 2 390.448 -1.630 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1)NCc1cn[nH]n1 ZINC001577920295 1075359386 /nfs/dbraw/zinc/35/93/86/1075359386.db2.gz LEKUVIAWAIOURL-UHFFFAOYSA-N 1 2 390.448 -1.630 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)CN3CCCNC3=O)C2)C1)NCc1cn[nH]n1 ZINC001577920295 1075359381 /nfs/dbraw/zinc/35/93/81/1075359381.db2.gz LEKUVIAWAIOURL-UHFFFAOYSA-N 1 2 390.448 -1.630 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1)NCc1c[nH]nn1 ZINC001577920323 1075359426 /nfs/dbraw/zinc/35/94/26/1075359426.db2.gz LUHDDNWATNQHKU-NSHDSACASA-N 1 2 390.404 -2.447 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1)NCc1c[nH]nn1 ZINC001577920323 1075359422 /nfs/dbraw/zinc/35/94/22/1075359422.db2.gz LUHDDNWATNQHKU-NSHDSACASA-N 1 2 390.404 -2.447 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577920323 1075359419 /nfs/dbraw/zinc/35/94/19/1075359419.db2.gz LUHDDNWATNQHKU-NSHDSACASA-N 1 2 390.404 -2.447 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577920323 1075359414 /nfs/dbraw/zinc/35/94/14/1075359414.db2.gz LUHDDNWATNQHKU-NSHDSACASA-N 1 2 390.404 -2.447 20 0 GAADLO O=C(CN1CCC(=O)NC1=O)NC1CC[NH+](CC(=O)NCc2cn[nH]n2)CC1 ZINC001577920609 1075359896 /nfs/dbraw/zinc/35/98/96/1075359896.db2.gz UMTGBWGWHYRNLX-UHFFFAOYSA-N 1 2 392.420 -2.057 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1)NCc1c[nH]nn1 ZINC001577920635 1075359972 /nfs/dbraw/zinc/35/99/72/1075359972.db2.gz VGTMVDPBUPUCHX-GFCCVEGCSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1)NCc1c[nH]nn1 ZINC001577920635 1075359969 /nfs/dbraw/zinc/35/99/69/1075359969.db2.gz VGTMVDPBUPUCHX-GFCCVEGCSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577920635 1075359964 /nfs/dbraw/zinc/35/99/64/1075359964.db2.gz VGTMVDPBUPUCHX-GFCCVEGCSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577920635 1075359962 /nfs/dbraw/zinc/35/99/62/1075359962.db2.gz VGTMVDPBUPUCHX-GFCCVEGCSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1)NCc1c[nH]nn1 ZINC001577920636 1075359890 /nfs/dbraw/zinc/35/98/90/1075359890.db2.gz VGTMVDPBUPUCHX-LBPRGKRZSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1)NCc1c[nH]nn1 ZINC001577920636 1075359888 /nfs/dbraw/zinc/35/98/88/1075359888.db2.gz VGTMVDPBUPUCHX-LBPRGKRZSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577920636 1075359886 /nfs/dbraw/zinc/35/98/86/1075359886.db2.gz VGTMVDPBUPUCHX-LBPRGKRZSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577920636 1075359883 /nfs/dbraw/zinc/35/98/83/1075359883.db2.gz VGTMVDPBUPUCHX-LBPRGKRZSA-N 1 2 375.433 -1.376 20 0 GAADLO O=C(C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920637 1075359915 /nfs/dbraw/zinc/35/99/15/1075359915.db2.gz VIIJARSVLCCRKU-NEPJUHHUSA-N 1 2 376.421 -1.927 20 0 GAADLO O=C(C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920638 1075360043 /nfs/dbraw/zinc/36/00/43/1075360043.db2.gz VIIJARSVLCCRKU-NWDGAFQWSA-N 1 2 376.421 -1.927 20 0 GAADLO O=C(C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920639 1075359933 /nfs/dbraw/zinc/35/99/33/1075359933.db2.gz VIIJARSVLCCRKU-RYUDHWBXSA-N 1 2 376.421 -1.927 20 0 GAADLO O=C(C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CNC(=O)N2)CC1)NCc1c[nH]nn1 ZINC001577920640 1075359994 /nfs/dbraw/zinc/35/99/94/1075359994.db2.gz VIIJARSVLCCRKU-VXGBXAGGSA-N 1 2 376.421 -1.927 20 0 GAADLO O=C(C[NH+]1CCC2(CN(C(=O)CNC(=O)C3CC3)C2)CC1)NCc1c[nH]nn1 ZINC001577920648 1075360618 /nfs/dbraw/zinc/36/06/18/1075360618.db2.gz VKOOZWZAYUSDJD-UHFFFAOYSA-N 1 2 389.460 -1.129 20 0 GAADLO O=C(C[N@H+]1CC[C@H](CNC(=O)c2cccn3nnnc23)C1)NCc1c[nH]nn1 ZINC001577920654 1075360607 /nfs/dbraw/zinc/36/06/07/1075360607.db2.gz VMIOLLRZSHWJTE-LLVKDONJSA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](CNC(=O)c2cccn3nnnc23)C1)NCc1c[nH]nn1 ZINC001577920654 1075360601 /nfs/dbraw/zinc/36/06/01/1075360601.db2.gz VMIOLLRZSHWJTE-LLVKDONJSA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[N@H+]1CC[C@H](CNC(=O)c2cccn3nnnc23)C1)NCc1cn[nH]n1 ZINC001577920654 1075360597 /nfs/dbraw/zinc/36/05/97/1075360597.db2.gz VMIOLLRZSHWJTE-LLVKDONJSA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](CNC(=O)c2cccn3nnnc23)C1)NCc1cn[nH]n1 ZINC001577920654 1075360591 /nfs/dbraw/zinc/36/05/91/1075360591.db2.gz VMIOLLRZSHWJTE-LLVKDONJSA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)C1)NCc1c[nH]nn1 ZINC001577920655 1075360532 /nfs/dbraw/zinc/36/05/32/1075360532.db2.gz VMIOLLRZSHWJTE-NSHDSACASA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)C1)NCc1c[nH]nn1 ZINC001577920655 1075360529 /nfs/dbraw/zinc/36/05/29/1075360529.db2.gz VMIOLLRZSHWJTE-NSHDSACASA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)C1)NCc1cn[nH]n1 ZINC001577920655 1075360522 /nfs/dbraw/zinc/36/05/22/1075360522.db2.gz VMIOLLRZSHWJTE-NSHDSACASA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](CNC(=O)c2cccn3nnnc23)C1)NCc1cn[nH]n1 ZINC001577920655 1075360519 /nfs/dbraw/zinc/36/05/19/1075360519.db2.gz VMIOLLRZSHWJTE-NSHDSACASA-N 1 2 384.404 -1.390 20 0 GAADLO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)CC1)NCc1c[nH]nn1 ZINC001577920721 1075360387 /nfs/dbraw/zinc/36/03/87/1075360387.db2.gz XAEHMVXGENEUHB-AWEZNQCLSA-N 1 2 378.433 -1.239 20 0 GAADLO O=C(C[NH+]1CCC2(CN(C(=O)[C@H]3COCCO3)C2)CC1)NCc1c[nH]nn1 ZINC001577920722 1075360462 /nfs/dbraw/zinc/36/04/62/1075360462.db2.gz XAEHMVXGENEUHB-CQSZACIVSA-N 1 2 378.433 -1.239 20 0 GAADLO O=C(C[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NCc1c[nH]nn1 ZINC001577920730 1075360636 /nfs/dbraw/zinc/36/06/36/1075360636.db2.gz XINWYVXUTQEPKV-KRWDZBQOSA-N 1 2 386.416 -1.258 20 0 GAADLO O=C(C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NCc1c[nH]nn1 ZINC001577920730 1075360633 /nfs/dbraw/zinc/36/06/33/1075360633.db2.gz XINWYVXUTQEPKV-KRWDZBQOSA-N 1 2 386.416 -1.258 20 0 GAADLO O=C(C[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NCc1c[nH]nn1 ZINC001577920731 1075360427 /nfs/dbraw/zinc/36/04/27/1075360427.db2.gz XINWYVXUTQEPKV-QGZVFWFLSA-N 1 2 386.416 -1.258 20 0 GAADLO O=C(C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1)NCc1c[nH]nn1 ZINC001577920731 1075360423 /nfs/dbraw/zinc/36/04/23/1075360423.db2.gz XINWYVXUTQEPKV-QGZVFWFLSA-N 1 2 386.416 -1.258 20 0 GAADLO O=C(C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC2)CC1)NCc1c[nH]nn1 ZINC001577922484 1075360562 /nfs/dbraw/zinc/36/05/62/1075360562.db2.gz AUGJPXKMQKHFPC-CYBMUJFWSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC2)CC1)NCc1c[nH]nn1 ZINC001577922484 1075360558 /nfs/dbraw/zinc/36/05/58/1075360558.db2.gz AUGJPXKMQKHFPC-CYBMUJFWSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC2)CC1)NCc1c[nH]nn1 ZINC001577922485 1075360501 /nfs/dbraw/zinc/36/05/01/1075360501.db2.gz AUGJPXKMQKHFPC-ZDUSSCGKSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC2)CC1)NCc1c[nH]nn1 ZINC001577922485 1075360496 /nfs/dbraw/zinc/36/04/96/1075360496.db2.gz AUGJPXKMQKHFPC-ZDUSSCGKSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1c[nH]nn1 ZINC001577922486 1075361004 /nfs/dbraw/zinc/36/10/04/1075361004.db2.gz AVFBRQDCEPPIFH-INIZCTEOSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1c[nH]nn1 ZINC001577922486 1075361000 /nfs/dbraw/zinc/36/10/00/1075361000.db2.gz AVFBRQDCEPPIFH-INIZCTEOSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1cn[nH]n1 ZINC001577922486 1075360995 /nfs/dbraw/zinc/36/09/95/1075360995.db2.gz AVFBRQDCEPPIFH-INIZCTEOSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1cn[nH]n1 ZINC001577922486 1075360991 /nfs/dbraw/zinc/36/09/91/1075360991.db2.gz AVFBRQDCEPPIFH-INIZCTEOSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1c[nH]nn1 ZINC001577922487 1075360970 /nfs/dbraw/zinc/36/09/70/1075360970.db2.gz AVFBRQDCEPPIFH-MRXNPFEDSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1c[nH]nn1 ZINC001577922487 1075360963 /nfs/dbraw/zinc/36/09/63/1075360963.db2.gz AVFBRQDCEPPIFH-MRXNPFEDSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1cn[nH]n1 ZINC001577922487 1075360960 /nfs/dbraw/zinc/36/09/60/1075360960.db2.gz AVFBRQDCEPPIFH-MRXNPFEDSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnnn3)C2)C1)NCc1cn[nH]n1 ZINC001577922487 1075360954 /nfs/dbraw/zinc/36/09/54/1075360954.db2.gz AVFBRQDCEPPIFH-MRXNPFEDSA-N 1 2 388.436 -1.578 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2c[nH]nn2)CC1 ZINC001577922603 1075361135 /nfs/dbraw/zinc/36/11/35/1075361135.db2.gz DZXJDAOMQDHZNM-GFCCVEGCSA-N 1 2 391.432 -1.459 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2c[nH]nn2)CC1 ZINC001577922603 1075361133 /nfs/dbraw/zinc/36/11/33/1075361133.db2.gz DZXJDAOMQDHZNM-GFCCVEGCSA-N 1 2 391.432 -1.459 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2c[nH]nn2)CC1 ZINC001577922604 1075361088 /nfs/dbraw/zinc/36/10/88/1075361088.db2.gz DZXJDAOMQDHZNM-LBPRGKRZSA-N 1 2 391.432 -1.459 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@H]1CCC[N@H+](CC(=O)NCc2c[nH]nn2)CC1 ZINC001577922604 1075361082 /nfs/dbraw/zinc/36/10/82/1075361082.db2.gz DZXJDAOMQDHZNM-LBPRGKRZSA-N 1 2 391.432 -1.459 20 0 GAADLO O=C(C[N@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577922676 1075361160 /nfs/dbraw/zinc/36/11/60/1075361160.db2.gz GLSZATSNQTVRQN-GFCCVEGCSA-N 1 2 376.421 -1.973 20 0 GAADLO O=C(C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577922676 1075361155 /nfs/dbraw/zinc/36/11/55/1075361155.db2.gz GLSZATSNQTVRQN-GFCCVEGCSA-N 1 2 376.421 -1.973 20 0 GAADLO O=C(C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577922677 1075361212 /nfs/dbraw/zinc/36/12/12/1075361212.db2.gz GLSZATSNQTVRQN-LBPRGKRZSA-N 1 2 376.421 -1.973 20 0 GAADLO O=C(C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1)NCc1cn[nH]n1 ZINC001577922677 1075361209 /nfs/dbraw/zinc/36/12/09/1075361209.db2.gz GLSZATSNQTVRQN-LBPRGKRZSA-N 1 2 376.421 -1.973 20 0 GAADLO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577922810 1075360885 /nfs/dbraw/zinc/36/08/85/1075360885.db2.gz JUUBMVZDVQWHEY-KRWDZBQOSA-N 1 2 380.449 -1.113 20 0 GAADLO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C(=O)CCOCc2c[nH]nn2)C1 ZINC001577922811 1075361053 /nfs/dbraw/zinc/36/10/53/1075361053.db2.gz JUUBMVZDVQWHEY-QGZVFWFLSA-N 1 2 380.449 -1.113 20 0 GAADLO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923318 1075361647 /nfs/dbraw/zinc/36/16/47/1075361647.db2.gz QKWQEJCYHNXKOX-GXTWGEPZSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923318 1075361643 /nfs/dbraw/zinc/36/16/43/1075361643.db2.gz QKWQEJCYHNXKOX-GXTWGEPZSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923320 1075361599 /nfs/dbraw/zinc/36/15/99/1075361599.db2.gz QKWQEJCYHNXKOX-JSGCOSHPSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923320 1075361593 /nfs/dbraw/zinc/36/15/93/1075361593.db2.gz QKWQEJCYHNXKOX-JSGCOSHPSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923321 1075361572 /nfs/dbraw/zinc/36/15/72/1075361572.db2.gz QKWQEJCYHNXKOX-OCCSQVGLSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923321 1075361569 /nfs/dbraw/zinc/36/15/69/1075361569.db2.gz QKWQEJCYHNXKOX-OCCSQVGLSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923322 1075361545 /nfs/dbraw/zinc/36/15/45/1075361545.db2.gz QKWQEJCYHNXKOX-TZMCWYRMSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCNC2=O)CC1)NCc1c[nH]nn1 ZINC001577923322 1075361541 /nfs/dbraw/zinc/36/15/41/1075361541.db2.gz QKWQEJCYHNXKOX-TZMCWYRMSA-N 1 2 377.449 -1.082 20 0 GAADLO O=C(Cn1ncnn1)NCCC[NH+]1CCN(CC(=O)NCc2c[nH]nn2)CC1 ZINC001577925271 1075362172 /nfs/dbraw/zinc/36/21/72/1075362172.db2.gz ALGJITYNXOORCY-UHFFFAOYSA-N 1 2 391.440 -2.769 20 0 GAADLO O=C(CN1CC[NH+](CCCNC(=O)c2ncccn2)CC1)NCc1cn[nH]n1 ZINC001577925273 1075361992 /nfs/dbraw/zinc/36/19/92/1075361992.db2.gz ATMYFFZXRFFMGV-UHFFFAOYSA-N 1 2 387.448 -1.351 20 0 GAADLO O=C(CN1CCCCS1(=O)=O)NC1(C[NH2+]Cc2cn[nH]n2)CCOCC1 ZINC001577926614 1075362842 /nfs/dbraw/zinc/36/28/42/1075362842.db2.gz SRCODKPVJSFQFR-UHFFFAOYSA-N 1 2 386.478 -1.015 20 0 GAADLO O=C(CN1CCCCS1(=O)=O)NC1(C[NH2+]Cc2c[nH]nn2)CCOCC1 ZINC001577926614 1075362836 /nfs/dbraw/zinc/36/28/36/1075362836.db2.gz SRCODKPVJSFQFR-UHFFFAOYSA-N 1 2 386.478 -1.015 20 0 GAADLO O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001577927595 1075363500 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389.416 -1.994 20 0 GAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1)NCc1cn[nH]n1 ZINC001577930687 1075364929 /nfs/dbraw/zinc/36/49/29/1075364929.db2.gz AVOCWMOKXHCUCH-JYAVWHMHSA-N 1 2 381.400 -1.176 20 0 GAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1)NCc1cn[nH]n1 ZINC001577930687 1075364928 /nfs/dbraw/zinc/36/49/28/1075364928.db2.gz AVOCWMOKXHCUCH-JYAVWHMHSA-N 1 2 381.400 -1.176 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577931072 1075364921 /nfs/dbraw/zinc/36/49/21/1075364921.db2.gz DZJVXBAIKQZMKN-CDMJZVDBSA-N 1 2 375.389 -2.384 20 0 GAADLO O=C(CN1C(=O)CCC1=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)C[C@H]21 ZINC001577931072 1075364920 /nfs/dbraw/zinc/36/49/20/1075364920.db2.gz DZJVXBAIKQZMKN-CDMJZVDBSA-N 1 2 375.389 -2.384 20 0 GAADLO O=C(CNC(=O)N1CCCC1)NCC[N@@H+](CC(=O)NCc1cn[nH]n1)C1CC1 ZINC001577931096 1075364860 /nfs/dbraw/zinc/36/48/60/1075364860.db2.gz FTHYDJLDPZODPM-UHFFFAOYSA-N 1 2 392.464 -1.193 20 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GAADLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12)NCc1cn[nH]n1 ZINC001577931375 1075365176 /nfs/dbraw/zinc/36/51/76/1075365176.db2.gz IDGIRUODFQWNGG-NHAGDIPZSA-N 1 2 381.400 -1.176 20 0 GAADLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12)NCc1cn[nH]n1 ZINC001577931375 1075365172 /nfs/dbraw/zinc/36/51/72/1075365172.db2.gz IDGIRUODFQWNGG-NHAGDIPZSA-N 1 2 381.400 -1.176 20 0 GAADLO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1)NCc1cn[nH]n1 ZINC001577931410 1075365109 /nfs/dbraw/zinc/36/51/09/1075365109.db2.gz IVBTVYYIZLNRBX-IACUBPJLSA-N 1 2 375.433 -1.378 20 0 GAADLO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)[C@@H]2C1)NCc1cn[nH]n1 ZINC001577931410 1075365105 /nfs/dbraw/zinc/36/51/05/1075365105.db2.gz IVBTVYYIZLNRBX-IACUBPJLSA-N 1 2 375.433 -1.378 20 0 GAADLO O=C(CN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1)NCc1cn[nH]n1 ZINC001577931476 1075365197 /nfs/dbraw/zinc/36/51/97/1075365197.db2.gz JWIOOZXBXNBZKE-GJZGRUSLSA-N 1 2 377.449 -1.572 20 0 GAADLO 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ZINC001577941906 1075369147 /nfs/dbraw/zinc/36/91/47/1075369147.db2.gz HTMWSFIXDBBOQQ-GFCCVEGCSA-N 1 2 377.409 -2.011 20 0 GAADLO O=C(C[NH2+]C[C@H]1CN(C(=O)CCc2nnc[nH]2)CCO1)NCc1cn[nH]n1 ZINC001577941908 1075369168 /nfs/dbraw/zinc/36/91/68/1075369168.db2.gz HTMWSFIXDBBOQQ-LBPRGKRZSA-N 1 2 377.409 -2.011 20 0 GAADLO O=C(C[NH2+]CC1(O)CCN(C(=O)Cc2nnc[nH]2)CC1)NCc1c[nH]nn1 ZINC001577942242 1075369475 /nfs/dbraw/zinc/36/94/75/1075369475.db2.gz KZHLCNDWKBZOCE-UHFFFAOYSA-N 1 2 377.409 -2.275 20 0 GAADLO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)NC1=O)NCc1cn[nH]n1 ZINC001577945048 1075370556 /nfs/dbraw/zinc/37/05/56/1075370556.db2.gz COBBIWFDGGCFJL-NEPJUHHUSA-N 1 2 392.420 -2.010 20 0 GAADLO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)NC1=O)NCc1cn[nH]n1 ZINC001577945049 1075370350 /nfs/dbraw/zinc/37/03/50/1075370350.db2.gz COBBIWFDGGCFJL-VXGBXAGGSA-N 1 2 392.420 -2.010 20 0 GAADLO O=C(C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCO2)n1)NCc1c[nH]nn1 ZINC001577946547 1075371363 /nfs/dbraw/zinc/37/13/63/1075371363.db2.gz WWEGZRJCZCVMBS-GFCCVEGCSA-N 1 2 390.404 -1.499 20 0 GAADLO O=C(C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCO2)n1)NCc1cn[nH]n1 ZINC001577946547 1075371358 /nfs/dbraw/zinc/37/13/58/1075371358.db2.gz WWEGZRJCZCVMBS-GFCCVEGCSA-N 1 2 390.404 -1.499 20 0 GAADLO O=C(C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCO2)n1)NCc1c[nH]nn1 ZINC001577946548 1075371258 /nfs/dbraw/zinc/37/12/58/1075371258.db2.gz WWEGZRJCZCVMBS-LBPRGKRZSA-N 1 2 390.404 -1.499 20 0 GAADLO O=C(C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCO2)n1)NCc1cn[nH]n1 ZINC001577946548 1075371254 /nfs/dbraw/zinc/37/12/54/1075371254.db2.gz WWEGZRJCZCVMBS-LBPRGKRZSA-N 1 2 390.404 -1.499 20 0 GAADLO O=C(COC[C@H]1CCCO1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577951366 1075372272 /nfs/dbraw/zinc/37/22/72/1075372272.db2.gz CZSAONWROYQRDO-FPCVCCKLSA-N 1 2 392.460 -1.090 20 0 GAADLO O=C(COC[C@H]1CCCO1)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577951366 1075372269 /nfs/dbraw/zinc/37/22/69/1075372269.db2.gz CZSAONWROYQRDO-FPCVCCKLSA-N 1 2 392.460 -1.090 20 0 GAADLO O=C(COC[C@@H]1CCCO1)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577951368 1075372289 /nfs/dbraw/zinc/37/22/89/1075372289.db2.gz CZSAONWROYQRDO-YHUYYLMFSA-N 1 2 392.460 -1.090 20 0 GAADLO O=C(COC[C@@H]1CCCO1)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001577951368 1075372287 /nfs/dbraw/zinc/37/22/87/1075372287.db2.gz CZSAONWROYQRDO-YHUYYLMFSA-N 1 2 392.460 -1.090 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NCc1cn(C2C[NH+](CCc3c[nH]nn3)C2)nn1 ZINC001577958653 1075372780 /nfs/dbraw/zinc/37/27/80/1075372780.db2.gz MRFWBVHHDMHNIL-LBPRGKRZSA-N 1 2 388.392 -2.290 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NCCNC(=O)C1CC[NH+](Cc2cnn[nH]2)CC1 ZINC001577959119 1075372593 /nfs/dbraw/zinc/37/25/93/1075372593.db2.gz QVYREWVEFHBCIR-LBPRGKRZSA-N 1 2 392.420 -2.153 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NCCNC(=O)C1CC[NH+](Cc2c[nH]nn2)CC1 ZINC001577959119 1075372587 /nfs/dbraw/zinc/37/25/87/1075372587.db2.gz QVYREWVEFHBCIR-LBPRGKRZSA-N 1 2 392.420 -2.153 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@H]1CCC[N@H+]1CC(=O)NCc1cnn[nH]1 ZINC001577959214 1075372667 /nfs/dbraw/zinc/37/26/67/1075372667.db2.gz SLOYXSFIYWJICI-MNOVXSKESA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1cnn[nH]1 ZINC001577959214 1075372665 /nfs/dbraw/zinc/37/26/65/1075372665.db2.gz SLOYXSFIYWJICI-MNOVXSKESA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@H]1CCC[N@H+]1CC(=O)NCc1c[nH]nn1 ZINC001577959214 1075372661 /nfs/dbraw/zinc/37/26/61/1075372661.db2.gz SLOYXSFIYWJICI-MNOVXSKESA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1c[nH]nn1 ZINC001577959214 1075372657 /nfs/dbraw/zinc/37/26/57/1075372657.db2.gz SLOYXSFIYWJICI-MNOVXSKESA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1cnn[nH]1 ZINC001577959215 1075372817 /nfs/dbraw/zinc/37/28/17/1075372817.db2.gz SLOYXSFIYWJICI-QWRGUYRKSA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1cnn[nH]1 ZINC001577959215 1075372812 /nfs/dbraw/zinc/37/28/12/1075372812.db2.gz SLOYXSFIYWJICI-QWRGUYRKSA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1c[nH]nn1 ZINC001577959215 1075372809 /nfs/dbraw/zinc/37/28/09/1075372809.db2.gz SLOYXSFIYWJICI-QWRGUYRKSA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1c[nH]nn1 ZINC001577959215 1075372806 /nfs/dbraw/zinc/37/28/06/1075372806.db2.gz SLOYXSFIYWJICI-QWRGUYRKSA-N 1 2 378.393 -2.400 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)N[C@H]1CC(=O)N(C2C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001577959306 1075372745 /nfs/dbraw/zinc/37/27/45/1075372745.db2.gz TYPHJXBIAAMMKI-JQWIXIFHSA-N 1 2 390.404 -2.653 20 0 GAADLO O=C(Cc1[nH]c(O)nc1O)N[C@@H]1CC(=O)N(C2C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001577959311 1075372707 /nfs/dbraw/zinc/37/27/07/1075372707.db2.gz TYPHJXBIAAMMKI-PWSUYJOCSA-N 1 2 390.404 -2.653 20 0 GAADLO O=C(COc1cccnc1)NC[C@@]1(O)CC[N@@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577959764 1075373088 /nfs/dbraw/zinc/37/30/88/1075373088.db2.gz VOFNMCHRAPNEHT-KRWDZBQOSA-N 1 2 389.416 -1.552 20 0 GAADLO O=C(COc1cccnc1)NC[C@@]1(O)CC[N@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577959764 1075373084 /nfs/dbraw/zinc/37/30/84/1075373084.db2.gz VOFNMCHRAPNEHT-KRWDZBQOSA-N 1 2 389.416 -1.552 20 0 GAADLO O=C(COc1cccnc1)NC[C@]1(O)CC[N@@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577959818 1075373136 /nfs/dbraw/zinc/37/31/36/1075373136.db2.gz VOFNMCHRAPNEHT-QGZVFWFLSA-N 1 2 389.416 -1.552 20 0 GAADLO O=C(COc1cccnc1)NC[C@]1(O)CC[N@H+](CC(=O)NCc2cn[nH]n2)C1 ZINC001577959818 1075373133 /nfs/dbraw/zinc/37/31/33/1075373133.db2.gz VOFNMCHRAPNEHT-QGZVFWFLSA-N 1 2 389.416 -1.552 20 0 GAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N(CCO)CC[NH2+]CCc1cn[nH]n1 ZINC001577965584 1075373502 /nfs/dbraw/zinc/37/35/02/1075373502.db2.gz FFTGZZGHKYRXJR-UHFFFAOYSA-N 1 2 375.393 -2.158 20 0 GAADLO O=C(Cc1nc2ncccn2n1)NCCN1CC[NH+](CCc2cn[nH]n2)CC1 ZINC001577966743 1075373953 /nfs/dbraw/zinc/37/39/53/1075373953.db2.gz UZHVXBXZUHUIES-UHFFFAOYSA-N 1 2 384.448 -1.239 20 0 GAADLO O=C(Cc1nc2ncccn2n1)NCCN1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001577966743 1075373947 /nfs/dbraw/zinc/37/39/47/1075373947.db2.gz UZHVXBXZUHUIES-UHFFFAOYSA-N 1 2 384.448 -1.239 20 0 GAADLO O=C(NC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001577988486 1075377466 /nfs/dbraw/zinc/37/74/66/1075377466.db2.gz GBCVJGSHIPXOLW-KBPBESRZSA-N 1 2 390.452 -1.643 20 0 GAADLO O=C(NC[C@H](O)C[NH2+]Cc1nnnn1C1CC1)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001577988496 1075377448 /nfs/dbraw/zinc/37/74/48/1075377448.db2.gz GBCVJGSHIPXOLW-KGLIPLIRSA-N 1 2 390.452 -1.643 20 0 GAADLO O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001577999291 1075379249 /nfs/dbraw/zinc/37/92/49/1075379249.db2.gz AFNHPAWWHVNIBZ-KBPBESRZSA-N 1 2 390.448 -1.489 20 0 GAADLO O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001577999291 1075379246 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MWIQHDLDWQIZAL-ZDUSSCGKSA-N 1 2 389.464 -1.012 20 0 GAADLO O=C(N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccc(-c2c[nH]nn2)cn1 ZINC001578018920 1075381663 /nfs/dbraw/zinc/38/16/63/1075381663.db2.gz ASZXLGVYHYOBTQ-CABCVRRESA-N 1 2 399.411 -1.209 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccc(-c2c[nH]nn2)cn1 ZINC001578018920 1075381662 /nfs/dbraw/zinc/38/16/62/1075381662.db2.gz ASZXLGVYHYOBTQ-CABCVRRESA-N 1 2 399.411 -1.209 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578019516 1075381938 /nfs/dbraw/zinc/38/19/38/1075381938.db2.gz PCAYJYJUUQDDBI-IAOVAPTHSA-N 1 2 398.427 -1.101 20 0 GAADLO O=C(N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578019516 1075381932 /nfs/dbraw/zinc/38/19/32/1075381932.db2.gz PCAYJYJUUQDDBI-IAOVAPTHSA-N 1 2 398.427 -1.101 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)c1ccc(-c2cn[nH]n2)cn1 ZINC001578019517 1075382155 /nfs/dbraw/zinc/38/21/55/1075382155.db2.gz 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ZINC001578060353 1075390852 /nfs/dbraw/zinc/39/08/52/1075390852.db2.gz TZLRKGYJKUALQW-UHFFFAOYSA-N 1 2 389.420 -1.795 20 0 GAADLO CC[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CC(=O)N1CCNC(=O)C1 ZINC001578064986 1075390970 /nfs/dbraw/zinc/39/09/70/1075390970.db2.gz HSZAIFKQCDROBH-UHFFFAOYSA-N 1 2 389.420 -1.795 20 0 GAADLO CC[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CC(=O)N1CCNC(=O)C1 ZINC001578064986 1075390961 /nfs/dbraw/zinc/39/09/61/1075390961.db2.gz HSZAIFKQCDROBH-UHFFFAOYSA-N 1 2 389.420 -1.795 20 0 GAADLO CC[N@@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CC(=O)N1CCNC(=O)C1 ZINC001578073895 1075390712 /nfs/dbraw/zinc/39/07/12/1075390712.db2.gz WTMTYFFAEWYEOC-UHFFFAOYSA-N 1 2 389.420 -1.795 20 0 GAADLO CC[N@H+](CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CC(=O)N1CCNC(=O)C1 ZINC001578073895 1075390707 /nfs/dbraw/zinc/39/07/07/1075390707.db2.gz WTMTYFFAEWYEOC-UHFFFAOYSA-N 1 2 389.420 -1.795 20 0 GAADLO CC[NH+]1CCC(NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578217851 1075397876 /nfs/dbraw/zinc/39/78/76/1075397876.db2.gz RMLNOLSSKCHGSW-UHFFFAOYSA-N 1 2 377.409 -1.088 20 0 GAADLO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219198 1075397936 /nfs/dbraw/zinc/39/79/36/1075397936.db2.gz GGLIKDLIOWLRLN-NEPJUHHUSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219198 1075397933 /nfs/dbraw/zinc/39/79/33/1075397933.db2.gz GGLIKDLIOWLRLN-NEPJUHHUSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219199 1075397917 /nfs/dbraw/zinc/39/79/17/1075397917.db2.gz GGLIKDLIOWLRLN-NWDGAFQWSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219199 1075397915 /nfs/dbraw/zinc/39/79/15/1075397915.db2.gz GGLIKDLIOWLRLN-NWDGAFQWSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219200 1075397960 /nfs/dbraw/zinc/39/79/60/1075397960.db2.gz GGLIKDLIOWLRLN-RYUDHWBXSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219200 1075397957 /nfs/dbraw/zinc/39/79/57/1075397957.db2.gz GGLIKDLIOWLRLN-RYUDHWBXSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219201 1075397994 /nfs/dbraw/zinc/39/79/94/1075397994.db2.gz GGLIKDLIOWLRLN-VXGBXAGGSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001578219201 1075397991 /nfs/dbraw/zinc/39/79/91/1075397991.db2.gz GGLIKDLIOWLRLN-VXGBXAGGSA-N 1 2 375.437 -1.158 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222024 1075398659 /nfs/dbraw/zinc/39/86/59/1075398659.db2.gz AYTUBBOBZJIENA-GFCCVEGCSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222024 1075398654 /nfs/dbraw/zinc/39/86/54/1075398654.db2.gz AYTUBBOBZJIENA-GFCCVEGCSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222025 1075398425 /nfs/dbraw/zinc/39/84/25/1075398425.db2.gz AYTUBBOBZJIENA-LBPRGKRZSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222025 1075398418 /nfs/dbraw/zinc/39/84/18/1075398418.db2.gz AYTUBBOBZJIENA-LBPRGKRZSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578222073 1075398454 /nfs/dbraw/zinc/39/84/54/1075398454.db2.gz CFYNIHRYOKCISG-GFCCVEGCSA-N 1 2 391.436 -1.968 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578222073 1075398451 /nfs/dbraw/zinc/39/84/51/1075398451.db2.gz CFYNIHRYOKCISG-GFCCVEGCSA-N 1 2 391.436 -1.968 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578222074 1075398403 /nfs/dbraw/zinc/39/84/03/1075398403.db2.gz CFYNIHRYOKCISG-LBPRGKRZSA-N 1 2 391.436 -1.968 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578222074 1075398395 /nfs/dbraw/zinc/39/83/95/1075398395.db2.gz CFYNIHRYOKCISG-LBPRGKRZSA-N 1 2 391.436 -1.968 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222138 1075398621 /nfs/dbraw/zinc/39/86/21/1075398621.db2.gz DVSRDNQFURIWLO-AAEUAGOBSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222138 1075398616 /nfs/dbraw/zinc/39/86/16/1075398616.db2.gz DVSRDNQFURIWLO-AAEUAGOBSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222139 1075398362 /nfs/dbraw/zinc/39/83/62/1075398362.db2.gz DVSRDNQFURIWLO-DGCLKSJQSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222139 1075398356 /nfs/dbraw/zinc/39/83/56/1075398356.db2.gz DVSRDNQFURIWLO-DGCLKSJQSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222140 1075398269 /nfs/dbraw/zinc/39/82/69/1075398269.db2.gz DVSRDNQFURIWLO-WCQYABFASA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222140 1075398264 /nfs/dbraw/zinc/39/82/64/1075398264.db2.gz DVSRDNQFURIWLO-WCQYABFASA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222141 1075398590 /nfs/dbraw/zinc/39/85/90/1075398590.db2.gz DVSRDNQFURIWLO-YPMHNXCESA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222141 1075398584 /nfs/dbraw/zinc/39/85/84/1075398584.db2.gz DVSRDNQFURIWLO-YPMHNXCESA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222324 1075398557 /nfs/dbraw/zinc/39/85/57/1075398557.db2.gz INPMHTSKSXGCMF-NEPJUHHUSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222324 1075398549 /nfs/dbraw/zinc/39/85/49/1075398549.db2.gz INPMHTSKSXGCMF-NEPJUHHUSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222325 1075398710 /nfs/dbraw/zinc/39/87/10/1075398710.db2.gz INPMHTSKSXGCMF-NWDGAFQWSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222325 1075398703 /nfs/dbraw/zinc/39/87/03/1075398703.db2.gz INPMHTSKSXGCMF-NWDGAFQWSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222326 1075398522 /nfs/dbraw/zinc/39/85/22/1075398522.db2.gz INPMHTSKSXGCMF-RYUDHWBXSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222326 1075398514 /nfs/dbraw/zinc/39/85/14/1075398514.db2.gz INPMHTSKSXGCMF-RYUDHWBXSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222327 1075398735 /nfs/dbraw/zinc/39/87/35/1075398735.db2.gz INPMHTSKSXGCMF-VXGBXAGGSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578222327 1075398729 /nfs/dbraw/zinc/39/87/29/1075398729.db2.gz INPMHTSKSXGCMF-VXGBXAGGSA-N 1 2 391.436 -1.391 20 0 GAADLO CC[NH+]1CCN(CCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578222356 1075398496 /nfs/dbraw/zinc/39/84/96/1075398496.db2.gz IZBSFRGSAVRXPQ-UHFFFAOYSA-N 1 2 377.409 -2.117 20 0 GAADLO CC[NH+]1CCN(CCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578222513 1075399200 /nfs/dbraw/zinc/39/92/00/1075399200.db2.gz LYPFEVMXUKNSSP-UHFFFAOYSA-N 1 2 391.436 -1.727 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222539 1075399050 /nfs/dbraw/zinc/39/90/50/1075399050.db2.gz MNJHEVFPCSONQS-CYBMUJFWSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222539 1075399045 /nfs/dbraw/zinc/39/90/45/1075399045.db2.gz MNJHEVFPCSONQS-CYBMUJFWSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222540 1075399103 /nfs/dbraw/zinc/39/91/03/1075399103.db2.gz MNJHEVFPCSONQS-ZDUSSCGKSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578222540 1075399097 /nfs/dbraw/zinc/39/90/97/1075399097.db2.gz MNJHEVFPCSONQS-ZDUSSCGKSA-N 1 2 391.436 -1.390 20 0 GAADLO CCN1CCO[C@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578222583 1075399125 /nfs/dbraw/zinc/39/91/25/1075399125.db2.gz NPNPHVUZVOTJQN-HNNXBMFYSA-N 1 2 390.448 -1.363 20 0 GAADLO CCN1CCO[C@@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578222584 1075399299 /nfs/dbraw/zinc/39/92/99/1075399299.db2.gz NPNPHVUZVOTJQN-OAHLLOKOSA-N 1 2 390.448 -1.363 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001578222720 1075399160 /nfs/dbraw/zinc/39/91/60/1075399160.db2.gz PSWPMGNMHNAKIK-AAEUAGOBSA-N 1 2 391.436 -1.391 20 0 GAADLO 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GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224133 1075401294 /nfs/dbraw/zinc/40/12/94/1075401294.db2.gz KCUJGOQNQJLKTE-AAEUAGOBSA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224134 1075401264 /nfs/dbraw/zinc/40/12/64/1075401264.db2.gz KCUJGOQNQJLKTE-DGCLKSJQSA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224134 1075401260 /nfs/dbraw/zinc/40/12/60/1075401260.db2.gz KCUJGOQNQJLKTE-DGCLKSJQSA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224135 1075401383 /nfs/dbraw/zinc/40/13/83/1075401383.db2.gz KCUJGOQNQJLKTE-WCQYABFASA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224135 1075401380 /nfs/dbraw/zinc/40/13/80/1075401380.db2.gz KCUJGOQNQJLKTE-WCQYABFASA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224136 1075401281 /nfs/dbraw/zinc/40/12/81/1075401281.db2.gz KCUJGOQNQJLKTE-YPMHNXCESA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224136 1075401279 /nfs/dbraw/zinc/40/12/79/1075401279.db2.gz KCUJGOQNQJLKTE-YPMHNXCESA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224358 1075401828 /nfs/dbraw/zinc/40/18/28/1075401828.db2.gz MFJKHWABTYCOEX-NEPJUHHUSA-N 1 2 375.437 -1.037 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224358 1075401825 /nfs/dbraw/zinc/40/18/25/1075401825.db2.gz MFJKHWABTYCOEX-NEPJUHHUSA-N 1 2 375.437 -1.037 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224359 1075401689 /nfs/dbraw/zinc/40/16/89/1075401689.db2.gz MFJKHWABTYCOEX-NWDGAFQWSA-N 1 2 375.437 -1.037 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224359 1075401680 /nfs/dbraw/zinc/40/16/80/1075401680.db2.gz MFJKHWABTYCOEX-NWDGAFQWSA-N 1 2 375.437 -1.037 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224360 1075402009 /nfs/dbraw/zinc/40/20/09/1075402009.db2.gz MFJKHWABTYCOEX-RYUDHWBXSA-N 1 2 375.437 -1.037 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224360 1075402004 /nfs/dbraw/zinc/40/20/04/1075402004.db2.gz MFJKHWABTYCOEX-RYUDHWBXSA-N 1 2 375.437 -1.037 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224361 1075401775 /nfs/dbraw/zinc/40/17/75/1075401775.db2.gz MFJKHWABTYCOEX-VXGBXAGGSA-N 1 2 375.437 -1.037 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001578224361 1075401770 /nfs/dbraw/zinc/40/17/70/1075401770.db2.gz MFJKHWABTYCOEX-VXGBXAGGSA-N 1 2 375.437 -1.037 20 0 GAADLO CCN1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224400 1075401998 /nfs/dbraw/zinc/40/19/98/1075401998.db2.gz NGQPWRYZYYMVTH-BXUZGUMPSA-N 1 2 376.421 -1.707 20 0 GAADLO CCN1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224401 1075401665 /nfs/dbraw/zinc/40/16/65/1075401665.db2.gz NGQPWRYZYYMVTH-FZMZJTMJSA-N 1 2 376.421 -1.707 20 0 GAADLO CCN1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224402 1075402024 /nfs/dbraw/zinc/40/20/24/1075402024.db2.gz NGQPWRYZYYMVTH-RISCZKNCSA-N 1 2 376.421 -1.707 20 0 GAADLO CCN1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224403 1075402544 /nfs/dbraw/zinc/40/25/44/1075402544.db2.gz NGQPWRYZYYMVTH-SMDDNHRTSA-N 1 2 376.421 -1.707 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224404 1075402354 /nfs/dbraw/zinc/40/23/54/1075402354.db2.gz NHHVLFJVZCHBFI-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224404 1075402348 /nfs/dbraw/zinc/40/23/48/1075402348.db2.gz NHHVLFJVZCHBFI-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224405 1075402301 /nfs/dbraw/zinc/40/23/01/1075402301.db2.gz NHHVLFJVZCHBFI-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224405 1075402295 /nfs/dbraw/zinc/40/22/95/1075402295.db2.gz NHHVLFJVZCHBFI-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224406 1075402433 /nfs/dbraw/zinc/40/24/33/1075402433.db2.gz NHHVLFJVZCHBFI-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224406 1075402431 /nfs/dbraw/zinc/40/24/31/1075402431.db2.gz NHHVLFJVZCHBFI-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224407 1075402457 /nfs/dbraw/zinc/40/24/57/1075402457.db2.gz NHHVLFJVZCHBFI-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)C1 ZINC001578224407 1075402454 /nfs/dbraw/zinc/40/24/54/1075402454.db2.gz NHHVLFJVZCHBFI-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224471 1075402495 /nfs/dbraw/zinc/40/24/95/1075402495.db2.gz NQDAGKVMAYCRAQ-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224471 1075402490 /nfs/dbraw/zinc/40/24/90/1075402490.db2.gz NQDAGKVMAYCRAQ-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224472 1075402420 /nfs/dbraw/zinc/40/24/20/1075402420.db2.gz NQDAGKVMAYCRAQ-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224472 1075402417 /nfs/dbraw/zinc/40/24/17/1075402417.db2.gz NQDAGKVMAYCRAQ-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224474 1075402710 /nfs/dbraw/zinc/40/27/10/1075402710.db2.gz NQDAGKVMAYCRAQ-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224474 1075402705 /nfs/dbraw/zinc/40/27/05/1075402705.db2.gz NQDAGKVMAYCRAQ-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224476 1075402513 /nfs/dbraw/zinc/40/25/13/1075402513.db2.gz NQDAGKVMAYCRAQ-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224476 1075402509 /nfs/dbraw/zinc/40/25/09/1075402509.db2.gz NQDAGKVMAYCRAQ-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001578224675 1075402582 /nfs/dbraw/zinc/40/25/82/1075402582.db2.gz PPWPUOKDFLZIIU-AGIUHOORSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001578224675 1075402579 /nfs/dbraw/zinc/40/25/79/1075402579.db2.gz PPWPUOKDFLZIIU-AGIUHOORSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001578224676 1075402598 /nfs/dbraw/zinc/40/25/98/1075402598.db2.gz PPWPUOKDFLZIIU-FRRDWIJNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001578224676 1075402596 /nfs/dbraw/zinc/40/25/96/1075402596.db2.gz PPWPUOKDFLZIIU-FRRDWIJNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001578224678 1075402530 /nfs/dbraw/zinc/40/25/30/1075402530.db2.gz PPWPUOKDFLZIIU-JHJVBQTASA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001578224678 1075402527 /nfs/dbraw/zinc/40/25/27/1075402527.db2.gz PPWPUOKDFLZIIU-JHJVBQTASA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001578224680 1075402477 /nfs/dbraw/zinc/40/24/77/1075402477.db2.gz PPWPUOKDFLZIIU-UPJWGTAASA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)C1 ZINC001578224680 1075402472 /nfs/dbraw/zinc/40/24/72/1075402472.db2.gz PPWPUOKDFLZIIU-UPJWGTAASA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001578224791 1075402636 /nfs/dbraw/zinc/40/26/36/1075402636.db2.gz RNSXCTXAIBGLJH-OICBVUGWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001578224791 1075402633 /nfs/dbraw/zinc/40/26/33/1075402633.db2.gz RNSXCTXAIBGLJH-OICBVUGWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001578224792 1075402680 /nfs/dbraw/zinc/40/26/80/1075402680.db2.gz RNSXCTXAIBGLJH-YODMDTAWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001578224792 1075402676 /nfs/dbraw/zinc/40/26/76/1075402676.db2.gz RNSXCTXAIBGLJH-YODMDTAWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578224865 1075403020 /nfs/dbraw/zinc/40/30/20/1075403020.db2.gz TZHKJFRPZAETDL-IJLUTSLNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578224865 1075403017 /nfs/dbraw/zinc/40/30/17/1075403017.db2.gz TZHKJFRPZAETDL-IJLUTSLNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578224866 1075403148 /nfs/dbraw/zinc/40/31/48/1075403148.db2.gz TZHKJFRPZAETDL-UTUOFQBUSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578224866 1075403146 /nfs/dbraw/zinc/40/31/46/1075403146.db2.gz TZHKJFRPZAETDL-UTUOFQBUSA-N 1 2 389.420 -1.957 20 0 GAADLO CCN1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224871 1075402977 /nfs/dbraw/zinc/40/29/77/1075402977.db2.gz UAMMOGXTEJJMSZ-BXUZGUMPSA-N 1 2 376.421 -1.707 20 0 GAADLO CCN1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224872 1075403136 /nfs/dbraw/zinc/40/31/36/1075403136.db2.gz UAMMOGXTEJJMSZ-FZMZJTMJSA-N 1 2 376.421 -1.707 20 0 GAADLO CCN1CCO[C@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224873 1075403109 /nfs/dbraw/zinc/40/31/09/1075403109.db2.gz UAMMOGXTEJJMSZ-RISCZKNCSA-N 1 2 376.421 -1.707 20 0 GAADLO CCN1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224874 1075403238 /nfs/dbraw/zinc/40/32/38/1075403238.db2.gz UAMMOGXTEJJMSZ-SMDDNHRTSA-N 1 2 376.421 -1.707 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224890 1075402959 /nfs/dbraw/zinc/40/29/59/1075402959.db2.gz ULFXAHRMNSRULO-AAEUAGOBSA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224890 1075402957 /nfs/dbraw/zinc/40/29/57/1075402957.db2.gz ULFXAHRMNSRULO-AAEUAGOBSA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224891 1075402993 /nfs/dbraw/zinc/40/29/93/1075402993.db2.gz ULFXAHRMNSRULO-DGCLKSJQSA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224891 1075402991 /nfs/dbraw/zinc/40/29/91/1075402991.db2.gz ULFXAHRMNSRULO-DGCLKSJQSA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224892 1075402947 /nfs/dbraw/zinc/40/29/47/1075402947.db2.gz ULFXAHRMNSRULO-WCQYABFASA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224892 1075402944 /nfs/dbraw/zinc/40/29/44/1075402944.db2.gz ULFXAHRMNSRULO-WCQYABFASA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224893 1075403198 /nfs/dbraw/zinc/40/31/98/1075403198.db2.gz ULFXAHRMNSRULO-YPMHNXCESA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 ZINC001578224893 1075403196 /nfs/dbraw/zinc/40/31/96/1075403196.db2.gz ULFXAHRMNSRULO-YPMHNXCESA-N 1 2 391.436 -1.425 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001578224940 1075402970 /nfs/dbraw/zinc/40/29/70/1075402970.db2.gz VSWNVKVGOXMRJK-OICBVUGWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001578224940 1075402968 /nfs/dbraw/zinc/40/29/68/1075402968.db2.gz VSWNVKVGOXMRJK-OICBVUGWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001578224941 1075403051 /nfs/dbraw/zinc/40/30/51/1075403051.db2.gz VSWNVKVGOXMRJK-YODMDTAWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001578224941 1075403045 /nfs/dbraw/zinc/40/30/45/1075403045.db2.gz VSWNVKVGOXMRJK-YODMDTAWSA-N 1 2 385.432 -1.072 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224956 1075403223 /nfs/dbraw/zinc/40/32/23/1075403223.db2.gz WBJPPOCXNZHICM-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224956 1075403217 /nfs/dbraw/zinc/40/32/17/1075403217.db2.gz WBJPPOCXNZHICM-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224957 1075403781 /nfs/dbraw/zinc/40/37/81/1075403781.db2.gz WBJPPOCXNZHICM-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224957 1075403777 /nfs/dbraw/zinc/40/37/77/1075403777.db2.gz WBJPPOCXNZHICM-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224958 1075403722 /nfs/dbraw/zinc/40/37/22/1075403722.db2.gz WBJPPOCXNZHICM-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224958 1075403720 /nfs/dbraw/zinc/40/37/20/1075403720.db2.gz WBJPPOCXNZHICM-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224959 1075403682 /nfs/dbraw/zinc/40/36/82/1075403682.db2.gz WBJPPOCXNZHICM-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001578224959 1075403679 /nfs/dbraw/zinc/40/36/79/1075403679.db2.gz WBJPPOCXNZHICM-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001578224966 1075403703 /nfs/dbraw/zinc/40/37/03/1075403703.db2.gz WGRKZPOCYXLJQH-IJLUTSLNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001578224966 1075403700 /nfs/dbraw/zinc/40/37/00/1075403700.db2.gz WGRKZPOCYXLJQH-IJLUTSLNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001578224967 1075403868 /nfs/dbraw/zinc/40/38/68/1075403868.db2.gz WGRKZPOCYXLJQH-UTUOFQBUSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001578224967 1075403863 /nfs/dbraw/zinc/40/38/63/1075403863.db2.gz WGRKZPOCYXLJQH-UTUOFQBUSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001578224992 1075403691 /nfs/dbraw/zinc/40/36/91/1075403691.db2.gz WUOWEMOYPOCJEN-AGIUHOORSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001578224992 1075403688 /nfs/dbraw/zinc/40/36/88/1075403688.db2.gz WUOWEMOYPOCJEN-AGIUHOORSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001578224993 1075403749 /nfs/dbraw/zinc/40/37/49/1075403749.db2.gz WUOWEMOYPOCJEN-FRRDWIJNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001578224993 1075403745 /nfs/dbraw/zinc/40/37/45/1075403745.db2.gz WUOWEMOYPOCJEN-FRRDWIJNSA-N 1 2 389.420 -1.957 20 0 GAADLO CCN1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225050 1075403735 /nfs/dbraw/zinc/40/37/35/1075403735.db2.gz YAQQPGJTAXVZFZ-BPLDGKMQSA-N 1 2 388.432 -1.352 20 0 GAADLO CCN1CCO[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225051 1075403629 /nfs/dbraw/zinc/40/36/29/1075403629.db2.gz YAQQPGJTAXVZFZ-SNPRPXQTSA-N 1 2 388.432 -1.352 20 0 GAADLO CCN1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225052 1075403850 /nfs/dbraw/zinc/40/38/50/1075403850.db2.gz YAQQPGJTAXVZFZ-VHDGCEQUSA-N 1 2 388.432 -1.352 20 0 GAADLO CCN1CCO[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225053 1075403887 /nfs/dbraw/zinc/40/38/87/1075403887.db2.gz YAQQPGJTAXVZFZ-YUELXQCFSA-N 1 2 388.432 -1.352 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225148 1075404279 /nfs/dbraw/zinc/40/42/79/1075404279.db2.gz ZVMCQQNXEILYGM-GHMZBOCLSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225148 1075404277 /nfs/dbraw/zinc/40/42/77/1075404277.db2.gz ZVMCQQNXEILYGM-GHMZBOCLSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225149 1075404309 /nfs/dbraw/zinc/40/43/09/1075404309.db2.gz ZVMCQQNXEILYGM-MNOVXSKESA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225149 1075404300 /nfs/dbraw/zinc/40/43/00/1075404300.db2.gz ZVMCQQNXEILYGM-MNOVXSKESA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225150 1075404442 /nfs/dbraw/zinc/40/44/42/1075404442.db2.gz ZVMCQQNXEILYGM-QWRGUYRKSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225150 1075404436 /nfs/dbraw/zinc/40/44/36/1075404436.db2.gz ZVMCQQNXEILYGM-QWRGUYRKSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225151 1075404229 /nfs/dbraw/zinc/40/42/29/1075404229.db2.gz ZVMCQQNXEILYGM-WDEREUQCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[nH]n2)C1 ZINC001578225151 1075404225 /nfs/dbraw/zinc/40/42/25/1075404225.db2.gz ZVMCQQNXEILYGM-WDEREUQCSA-N 1 2 377.409 -1.734 20 0 GAADLO CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578235899 1075412299 /nfs/dbraw/zinc/41/22/99/1075412299.db2.gz BJOHVVHEVROZBL-INIZCTEOSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578235899 1075412297 /nfs/dbraw/zinc/41/22/97/1075412297.db2.gz BJOHVVHEVROZBL-INIZCTEOSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578235900 1075412458 /nfs/dbraw/zinc/41/24/58/1075412458.db2.gz BJOHVVHEVROZBL-MRXNPFEDSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578235900 1075412453 /nfs/dbraw/zinc/41/24/53/1075412453.db2.gz BJOHVVHEVROZBL-MRXNPFEDSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578236212 1075412356 /nfs/dbraw/zinc/41/23/56/1075412356.db2.gz OBJLOSRZUDIDAO-INIZCTEOSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578236212 1075412353 /nfs/dbraw/zinc/41/23/53/1075412353.db2.gz OBJLOSRZUDIDAO-INIZCTEOSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578236213 1075412384 /nfs/dbraw/zinc/41/23/84/1075412384.db2.gz OBJLOSRZUDIDAO-MRXNPFEDSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578236213 1075412381 /nfs/dbraw/zinc/41/23/81/1075412381.db2.gz OBJLOSRZUDIDAO-MRXNPFEDSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578236317 1075412802 /nfs/dbraw/zinc/41/28/02/1075412802.db2.gz SHNURVXCRDJFBM-INIZCTEOSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578236317 1075412800 /nfs/dbraw/zinc/41/28/00/1075412800.db2.gz SHNURVXCRDJFBM-INIZCTEOSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578236318 1075412821 /nfs/dbraw/zinc/41/28/21/1075412821.db2.gz SHNURVXCRDJFBM-MRXNPFEDSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578236318 1075412819 /nfs/dbraw/zinc/41/28/19/1075412819.db2.gz SHNURVXCRDJFBM-MRXNPFEDSA-N 1 2 376.421 -1.112 20 0 GAADLO CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578237146 1075412842 /nfs/dbraw/zinc/41/28/42/1075412842.db2.gz ANZZVKKAWUBHGT-UHFFFAOYSA-N 1 2 375.393 -1.298 20 0 GAADLO CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578237900 1075413362 /nfs/dbraw/zinc/41/33/62/1075413362.db2.gz WDZDJYMLVITHNL-UHFFFAOYSA-N 1 2 375.393 -1.298 20 0 GAADLO CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578237903 1075413464 /nfs/dbraw/zinc/41/34/64/1075413464.db2.gz WHPYASCZAQHJNL-UHFFFAOYSA-N 1 2 375.393 -1.298 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238399 1075413721 /nfs/dbraw/zinc/41/37/21/1075413721.db2.gz MSPMVQQHPIQDAW-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238399 1075413719 /nfs/dbraw/zinc/41/37/19/1075413719.db2.gz MSPMVQQHPIQDAW-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238400 1075413910 /nfs/dbraw/zinc/41/39/10/1075413910.db2.gz MSPMVQQHPIQDAW-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578238400 1075413908 /nfs/dbraw/zinc/41/39/08/1075413908.db2.gz MSPMVQQHPIQDAW-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238535 1075413953 /nfs/dbraw/zinc/41/39/53/1075413953.db2.gz PKQURTLIPRNKMV-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238535 1075413948 /nfs/dbraw/zinc/41/39/48/1075413948.db2.gz PKQURTLIPRNKMV-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238536 1075413793 /nfs/dbraw/zinc/41/37/93/1075413793.db2.gz PKQURTLIPRNKMV-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578238536 1075413788 /nfs/dbraw/zinc/41/37/88/1075413788.db2.gz PKQURTLIPRNKMV-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578238609 1075413735 /nfs/dbraw/zinc/41/37/35/1075413735.db2.gz RNSRMDGVBBLIGI-SECBINFHSA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578238609 1075413730 /nfs/dbraw/zinc/41/37/30/1075413730.db2.gz RNSRMDGVBBLIGI-SECBINFHSA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578238610 1075413708 /nfs/dbraw/zinc/41/37/08/1075413708.db2.gz RNSRMDGVBBLIGI-VIFPVBQESA-N 1 2 375.393 -1.155 20 0 GAADLO CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578238610 1075413705 /nfs/dbraw/zinc/41/37/05/1075413705.db2.gz RNSRMDGVBBLIGI-VIFPVBQESA-N 1 2 375.393 -1.155 20 0 GAADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001578244101 1075414911 /nfs/dbraw/zinc/41/49/11/1075414911.db2.gz LVWKQAPUTGSDOM-LLVKDONJSA-N 1 2 377.409 -1.151 20 0 GAADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001578244101 1075414909 /nfs/dbraw/zinc/41/49/09/1075414909.db2.gz LVWKQAPUTGSDOM-LLVKDONJSA-N 1 2 377.409 -1.151 20 0 GAADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001578244102 1075414888 /nfs/dbraw/zinc/41/48/88/1075414888.db2.gz LVWKQAPUTGSDOM-NSHDSACASA-N 1 2 377.409 -1.151 20 0 GAADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001578244102 1075414886 /nfs/dbraw/zinc/41/48/86/1075414886.db2.gz LVWKQAPUTGSDOM-NSHDSACASA-N 1 2 377.409 -1.151 20 0 GAADLO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001578316267 1075416043 /nfs/dbraw/zinc/41/60/43/1075416043.db2.gz NWBMJHZYGGTVFN-JTQLQIEISA-N 1 2 380.409 -1.398 20 0 GAADLO CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001578316268 1075415850 /nfs/dbraw/zinc/41/58/50/1075415850.db2.gz NWBMJHZYGGTVFN-SNVBAGLBSA-N 1 2 380.409 -1.398 20 0 GAADLO CCO[C@@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+](C)C ZINC001578319804 1075415833 /nfs/dbraw/zinc/41/58/33/1075415833.db2.gz XITUPXOMNSTWEZ-JTQLQIEISA-N 1 2 380.409 -1.398 20 0 GAADLO CCO[C@H](CNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+](C)C ZINC001578319805 1075415819 /nfs/dbraw/zinc/41/58/19/1075415819.db2.gz XITUPXOMNSTWEZ-SNVBAGLBSA-N 1 2 380.409 -1.398 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578415459 1075425061 /nfs/dbraw/zinc/42/50/61/1075425061.db2.gz HXLQAIDWONLWEX-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578415459 1075425056 /nfs/dbraw/zinc/42/50/56/1075425056.db2.gz HXLQAIDWONLWEX-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578415460 1075425078 /nfs/dbraw/zinc/42/50/78/1075425078.db2.gz HXLQAIDWONLWEX-NSHDSACASA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578415460 1075425074 /nfs/dbraw/zinc/42/50/74/1075425074.db2.gz HXLQAIDWONLWEX-NSHDSACASA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[NH+]1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578415863 1075425566 /nfs/dbraw/zinc/42/55/66/1075425566.db2.gz LWLKEEGOXCNEDL-UHFFFAOYSA-N 1 2 382.450 -1.204 20 0 GAADLO CCS(=O)(=O)NCC[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578416351 1075426015 /nfs/dbraw/zinc/42/60/15/1075426015.db2.gz RMXMRUGGZWUPDW-UHFFFAOYSA-N 1 2 382.450 -1.204 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578416373 1075425759 /nfs/dbraw/zinc/42/57/59/1075425759.db2.gz STQATIHXHRHDEG-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578416373 1075425754 /nfs/dbraw/zinc/42/57/54/1075425754.db2.gz STQATIHXHRHDEG-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578416374 1075426040 /nfs/dbraw/zinc/42/60/40/1075426040.db2.gz STQATIHXHRHDEG-NSHDSACASA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578416374 1075426036 /nfs/dbraw/zinc/42/60/36/1075426036.db2.gz STQATIHXHRHDEG-NSHDSACASA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578416615 1075426835 /nfs/dbraw/zinc/42/68/35/1075426835.db2.gz XHMUENMXABCFLZ-JTQLQIEISA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578416615 1075426833 /nfs/dbraw/zinc/42/68/33/1075426833.db2.gz XHMUENMXABCFLZ-JTQLQIEISA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578416618 1075426811 /nfs/dbraw/zinc/42/68/11/1075426811.db2.gz XHMUENMXABCFLZ-SNVBAGLBSA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578416618 1075426807 /nfs/dbraw/zinc/42/68/07/1075426807.db2.gz XHMUENMXABCFLZ-SNVBAGLBSA-N 1 2 382.450 -1.062 20 0 GAADLO CCS(=O)(=O)NCC[NH+]1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578416649 1075426919 /nfs/dbraw/zinc/42/69/19/1075426919.db2.gz XOUMMGAXPLPNCY-UHFFFAOYSA-N 1 2 382.450 -1.204 20 0 GAADLO CCc1nc(-c2nn[nH]n2)cc(N2CC[NH+](CCN(C)C(=O)C(N)=O)CC2)n1 ZINC001578593946 1075432287 /nfs/dbraw/zinc/43/22/87/1075432287.db2.gz MPPPESNJZYNSSN-UHFFFAOYSA-N 1 2 388.436 -1.715 20 0 GAADLO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001578598242 1075434016 /nfs/dbraw/zinc/43/40/16/1075434016.db2.gz PFITVNRIQKCTGJ-NEPJUHHUSA-N 1 2 384.404 -1.219 20 0 GAADLO CCc1nc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633764 1075434685 /nfs/dbraw/zinc/43/46/85/1075434685.db2.gz NKOJEHXZJLCOJG-CMPLNLGQSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633764 1075434680 /nfs/dbraw/zinc/43/46/80/1075434680.db2.gz NKOJEHXZJLCOJG-CMPLNLGQSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633765 1075435267 /nfs/dbraw/zinc/43/52/67/1075435267.db2.gz NKOJEHXZJLCOJG-JQWIXIFHSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633765 1075435265 /nfs/dbraw/zinc/43/52/65/1075435265.db2.gz NKOJEHXZJLCOJG-JQWIXIFHSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633766 1075435074 /nfs/dbraw/zinc/43/50/74/1075435074.db2.gz NKOJEHXZJLCOJG-PWSUYJOCSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633766 1075435070 /nfs/dbraw/zinc/43/50/70/1075435070.db2.gz NKOJEHXZJLCOJG-PWSUYJOCSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633768 1075435331 /nfs/dbraw/zinc/43/53/31/1075435331.db2.gz NKOJEHXZJLCOJG-ZYHUDNBSSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001578633768 1075435325 /nfs/dbraw/zinc/43/53/25/1075435325.db2.gz NKOJEHXZJLCOJG-ZYHUDNBSSA-N 1 2 391.436 -1.561 20 0 GAADLO CN(C(=O)CN1CCNC(=O)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578878011 1075448305 /nfs/dbraw/zinc/44/83/05/1075448305.db2.gz GQCDSWCKZUOMLH-UHFFFAOYSA-N 1 2 384.444 -1.059 20 0 GAADLO CN(C(=O)CN1CCNC(=O)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578878220 1075448712 /nfs/dbraw/zinc/44/87/12/1075448712.db2.gz LMTKGZJEPNPEEV-UHFFFAOYSA-N 1 2 384.444 -1.059 20 0 GAADLO CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1C[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001578901672 1075452485 /nfs/dbraw/zinc/45/24/85/1075452485.db2.gz SOBQVGMXSKDWIF-ZDUSSCGKSA-N 1 2 388.432 -1.066 20 0 GAADLO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001578907533 1075452837 /nfs/dbraw/zinc/45/28/37/1075452837.db2.gz MOPCKABIJJXARH-UHFFFAOYSA-N 1 2 387.404 -1.107 20 0 GAADLO CN(C)C(=O)C[NH+]1CCC(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001578957257 1075456052 /nfs/dbraw/zinc/45/60/52/1075456052.db2.gz VOYYAAFYIXFJPL-UHFFFAOYSA-N 1 2 377.409 -1.370 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578957408 1075456614 /nfs/dbraw/zinc/45/66/14/1075456614.db2.gz WTVPNIJZWWEBIW-INIZCTEOSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578957408 1075456611 /nfs/dbraw/zinc/45/66/11/1075456611.db2.gz WTVPNIJZWWEBIW-INIZCTEOSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578957409 1075456424 /nfs/dbraw/zinc/45/64/24/1075456424.db2.gz WTVPNIJZWWEBIW-MRXNPFEDSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001578957409 1075456419 /nfs/dbraw/zinc/45/64/19/1075456419.db2.gz WTVPNIJZWWEBIW-MRXNPFEDSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[NH+]1CCN(CCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578958380 1075456704 /nfs/dbraw/zinc/45/67/04/1075456704.db2.gz CGLVJEQBCKBFOB-UHFFFAOYSA-N 1 2 389.464 -1.027 20 0 GAADLO CN(C)C(=O)C[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001578959107 1075456591 /nfs/dbraw/zinc/45/65/91/1075456591.db2.gz NRASIUYMZGQKSX-UHFFFAOYSA-N 1 2 375.437 -1.370 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578959133 1075456677 /nfs/dbraw/zinc/45/66/77/1075456677.db2.gz ODBOUDHHEXENRK-INIZCTEOSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578959133 1075456674 /nfs/dbraw/zinc/45/66/74/1075456674.db2.gz ODBOUDHHEXENRK-INIZCTEOSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578959135 1075456647 /nfs/dbraw/zinc/45/66/47/1075456647.db2.gz ODBOUDHHEXENRK-MRXNPFEDSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001578959135 1075456644 /nfs/dbraw/zinc/45/66/44/1075456644.db2.gz ODBOUDHHEXENRK-MRXNPFEDSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578959137 1075456497 /nfs/dbraw/zinc/45/64/97/1075456497.db2.gz ODPKWLQRTKSNDM-UHFFFAOYSA-N 1 2 375.437 -1.370 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578959253 1075457121 /nfs/dbraw/zinc/45/71/21/1075457121.db2.gz QFDQELKUMQJXBI-INIZCTEOSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578959253 1075457117 /nfs/dbraw/zinc/45/71/17/1075457117.db2.gz QFDQELKUMQJXBI-INIZCTEOSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578959255 1075457050 /nfs/dbraw/zinc/45/70/50/1075457050.db2.gz QFDQELKUMQJXBI-MRXNPFEDSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001578959255 1075457046 /nfs/dbraw/zinc/45/70/46/1075457046.db2.gz QFDQELKUMQJXBI-MRXNPFEDSA-N 1 2 376.421 -1.160 20 0 GAADLO CN(C)C(=O)C[NH+]1CCN(CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001578959429 1075456985 /nfs/dbraw/zinc/45/69/85/1075456985.db2.gz SGDPZZQTFFGJNY-UHFFFAOYSA-N 1 2 389.464 -1.027 20 0 GAADLO CN(C)C(=O)C[NH+]1CCN(CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001578959564 1075457197 /nfs/dbraw/zinc/45/71/97/1075457197.db2.gz UHVVCTAPPWXBRF-UHFFFAOYSA-N 1 2 389.464 -1.027 20 0 GAADLO C[NH+](C)C1(CNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCOCC1 ZINC001578966112 1075457917 /nfs/dbraw/zinc/45/79/17/1075457917.db2.gz GBMZWWZIABBHKQ-UHFFFAOYSA-N 1 2 392.420 -1.254 20 0 GAADLO C[NH+](C)C1(CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCOCC1 ZINC001578966341 1075457922 /nfs/dbraw/zinc/45/79/22/1075457922.db2.gz PFCXUOOTKUSTBY-UHFFFAOYSA-N 1 2 378.393 -1.644 20 0 GAADLO C[NH+](C)C1(CNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001578966402 1075457930 /nfs/dbraw/zinc/45/79/30/1075457930.db2.gz QWOPXNRLZPRKDS-UHFFFAOYSA-N 1 2 375.393 -1.211 20 0 GAADLO C[NH+](C)[C@]1(CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCSC1 ZINC001578966455 1075458546 /nfs/dbraw/zinc/45/85/46/1075458546.db2.gz SUERYBIMGXFJNK-AWEZNQCLSA-N 1 2 380.434 -1.318 20 0 GAADLO C[NH+](C)[C@@]1(CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCSC1 ZINC001578966456 1075458490 /nfs/dbraw/zinc/45/84/90/1075458490.db2.gz SUERYBIMGXFJNK-CQSZACIVSA-N 1 2 380.434 -1.318 20 0 GAADLO C[NH+](C)C1(CNC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCC1 ZINC001578966592 1075458481 /nfs/dbraw/zinc/45/84/81/1075458481.db2.gz YXDSQAWZKAVIEK-UHFFFAOYSA-N 1 2 377.409 -1.088 20 0 GAADLO C[NH+](C)C1CCN(CCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578969052 1075458605 /nfs/dbraw/zinc/45/86/05/1075458605.db2.gz PYJNYWGLMYRUQJ-UHFFFAOYSA-N 1 2 391.436 -1.729 20 0 GAADLO C[NH+](C)CC(=O)N1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578969057 1075458628 /nfs/dbraw/zinc/45/86/28/1075458628.db2.gz QAVJJVHLBGVTFL-UHFFFAOYSA-N 1 2 391.392 -2.639 20 0 GAADLO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001578972738 1075459184 /nfs/dbraw/zinc/45/91/84/1075459184.db2.gz BGQHJJVIHOXSLH-HNNXBMFYSA-N 1 2 378.393 -1.956 20 0 GAADLO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001578972739 1075458943 /nfs/dbraw/zinc/45/89/43/1075458943.db2.gz BGQHJJVIHOXSLH-OAHLLOKOSA-N 1 2 378.393 -1.956 20 0 GAADLO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001578973519 1075459634 /nfs/dbraw/zinc/45/96/34/1075459634.db2.gz RFBZITBMBSIDPG-INIZCTEOSA-N 1 2 392.420 -1.566 20 0 GAADLO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001578973520 1075459620 /nfs/dbraw/zinc/45/96/20/1075459620.db2.gz RFBZITBMBSIDPG-MRXNPFEDSA-N 1 2 392.420 -1.566 20 0 GAADLO C[NH+](C)CC1(O)CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578973637 1075459665 /nfs/dbraw/zinc/45/96/65/1075459665.db2.gz WDIGPFATKFSAGL-UHFFFAOYSA-N 1 2 378.393 -1.956 20 0 GAADLO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001578990952 1075461160 /nfs/dbraw/zinc/46/11/60/1075461160.db2.gz NGSGXRXYMZSBCX-LLVKDONJSA-N 1 2 392.420 -1.302 20 0 GAADLO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001578990953 1075461181 /nfs/dbraw/zinc/46/11/81/1075461181.db2.gz NGSGXRXYMZSBCX-NSHDSACASA-N 1 2 392.420 -1.302 20 0 GAADLO C[NH+](C)CCN1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578991933 1075461146 /nfs/dbraw/zinc/46/11/46/1075461146.db2.gz IAWCKCFWKSYNMP-UHFFFAOYSA-N 1 2 377.409 -2.165 20 0 GAADLO C[NH+](C)CCn1nccc1NC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001578992100 1075461130 /nfs/dbraw/zinc/46/11/30/1075461130.db2.gz LOLBQUQOSZKPFQ-UHFFFAOYSA-N 1 2 388.392 -1.084 20 0 GAADLO C[NH+](C)CCn1ccc(NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)n1 ZINC001578992312 1075461065 /nfs/dbraw/zinc/46/10/65/1075461065.db2.gz RLIZZUUBSHFAIU-UHFFFAOYSA-N 1 2 388.392 -1.084 20 0 GAADLO C[NH+](C)CCN1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1=O ZINC001578992345 1075461231 /nfs/dbraw/zinc/46/12/31/1075461231.db2.gz SIHRUUPJCFAYRT-UHFFFAOYSA-N 1 2 391.392 -2.639 20 0 GAADLO C[NH+](C)CCn1cc(NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)cn1 ZINC001578992366 1075461266 /nfs/dbraw/zinc/46/12/66/1075461266.db2.gz TZCJFZSLTHIOAD-UHFFFAOYSA-N 1 2 388.392 -1.084 20 0 GAADLO C[NH+](C)CCN1CCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001578992377 1075461056 /nfs/dbraw/zinc/46/10/56/1075461056.db2.gz UGMSWMBAOONCLG-UHFFFAOYSA-N 1 2 391.436 -1.775 20 0 GAADLO CN(C)Cc1cc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)no1 ZINC001578992796 1075461082 /nfs/dbraw/zinc/46/10/82/1075461082.db2.gz GVKVHBJMXCJOEQ-JTQLQIEISA-N 1 2 387.404 -1.064 20 0 GAADLO CN(C)Cc1cc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)no1 ZINC001578992797 1075461068 /nfs/dbraw/zinc/46/10/68/1075461068.db2.gz GVKVHBJMXCJOEQ-SNVBAGLBSA-N 1 2 387.404 -1.064 20 0 GAADLO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001578996101 1075462896 /nfs/dbraw/zinc/46/28/96/1075462896.db2.gz LABXXEUGRQXYMJ-AOOOYVTPSA-N 1 2 377.409 -1.232 20 0 GAADLO C[N@@H+](CC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)[C@@H]1CCC[C@H]1O ZINC001579003952 1075465851 /nfs/dbraw/zinc/46/58/51/1075465851.db2.gz JBFIUTPQCMBCCY-VXGBXAGGSA-N 1 2 390.404 -1.643 20 0 GAADLO C[N@H+](CC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)[C@@H]1CCC[C@H]1O ZINC001579003952 1075465848 /nfs/dbraw/zinc/46/58/48/1075465848.db2.gz JBFIUTPQCMBCCY-VXGBXAGGSA-N 1 2 390.404 -1.643 20 0 GAADLO C[N@@H+](CC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CCC[C@H]1O ZINC001579015838 1075470976 /nfs/dbraw/zinc/47/09/76/1075470976.db2.gz ULCRUXAWXJYMRD-GHMZBOCLSA-N 1 2 378.393 -1.910 20 0 GAADLO C[N@H+](CC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CCC[C@H]1O ZINC001579015838 1075470974 /nfs/dbraw/zinc/47/09/74/1075470974.db2.gz ULCRUXAWXJYMRD-GHMZBOCLSA-N 1 2 378.393 -1.910 20 0 GAADLO C[N@@H+](CC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CCSC1 ZINC001579016925 1075471026 /nfs/dbraw/zinc/47/10/26/1075471026.db2.gz XPIFAIMYNSOEPO-SECBINFHSA-N 1 2 380.434 -1.318 20 0 GAADLO C[N@H+](CC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1CCSC1 ZINC001579016925 1075471025 /nfs/dbraw/zinc/47/10/25/1075471025.db2.gz XPIFAIMYNSOEPO-SECBINFHSA-N 1 2 380.434 -1.318 20 0 GAADLO C[N@@H+](CC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1CCSC1 ZINC001579016926 1075471078 /nfs/dbraw/zinc/47/10/78/1075471078.db2.gz XPIFAIMYNSOEPO-VIFPVBQESA-N 1 2 380.434 -1.318 20 0 GAADLO C[N@H+](CC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1CCSC1 ZINC001579016926 1075471074 /nfs/dbraw/zinc/47/10/74/1075471074.db2.gz XPIFAIMYNSOEPO-VIFPVBQESA-N 1 2 380.434 -1.318 20 0 GAADLO CN(C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579021467 1075471671 /nfs/dbraw/zinc/47/16/71/1075471671.db2.gz LJQRKXZKPOULPW-GFCCVEGCSA-N 1 2 387.404 -1.017 20 0 GAADLO CN(C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579021468 1075471638 /nfs/dbraw/zinc/47/16/38/1075471638.db2.gz LJQRKXZKPOULPW-LBPRGKRZSA-N 1 2 387.404 -1.017 20 0 GAADLO CN(C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001579022763 1075472032 /nfs/dbraw/zinc/47/20/32/1075472032.db2.gz WSSWHOJDJZBOOD-GFCCVEGCSA-N 1 2 387.404 -1.017 20 0 GAADLO CN(C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001579022764 1075472140 /nfs/dbraw/zinc/47/21/40/1075472140.db2.gz WSSWHOJDJZBOOD-LBPRGKRZSA-N 1 2 387.404 -1.017 20 0 GAADLO CN(C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001579023605 1075473294 /nfs/dbraw/zinc/47/32/94/1075473294.db2.gz MNZCCIVZKLTIGV-LLVKDONJSA-N 1 2 387.404 -1.017 20 0 GAADLO CN(C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001579023606 1075473217 /nfs/dbraw/zinc/47/32/17/1075473217.db2.gz MNZCCIVZKLTIGV-NSHDSACASA-N 1 2 387.404 -1.017 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)Cc1c[nH+]cn1C ZINC001579025131 1075477336 /nfs/dbraw/zinc/47/73/36/1075477336.db2.gz VEFTXCAKKSGDKW-GFCCVEGCSA-N 1 2 386.420 -1.112 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)Cc1c[nH+]cn1C ZINC001579025132 1075477452 /nfs/dbraw/zinc/47/74/52/1075477452.db2.gz VEFTXCAKKSGDKW-LBPRGKRZSA-N 1 2 386.420 -1.112 20 0 GAADLO CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)Cc1c[nH+]cn1C ZINC001579027645 1075478524 /nfs/dbraw/zinc/47/85/24/1075478524.db2.gz IHJRPEGPLIUCLE-GFCCVEGCSA-N 1 2 386.420 -1.112 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)Cc1c[nH+]cn1C ZINC001579027647 1075478489 /nfs/dbraw/zinc/47/84/89/1075478489.db2.gz IHJRPEGPLIUCLE-LBPRGKRZSA-N 1 2 386.420 -1.112 20 0 GAADLO CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)Cc1c[nH+]cn1C ZINC001579028870 1075479469 /nfs/dbraw/zinc/47/94/69/1075479469.db2.gz AHWJXIGPWBXDEO-GFCCVEGCSA-N 1 2 386.420 -1.112 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)Cc1c[nH+]cn1C 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CN(C[C@@H](O)C[N@H+](C)CCS(C)(=O)=O)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579230204 1075526866 /nfs/dbraw/zinc/52/68/66/1075526866.db2.gz ZTJJBVJTZOZDAK-NSHDSACASA-N 1 2 385.450 -1.396 20 0 GAADLO CN(C[C@@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579265504 1075527768 /nfs/dbraw/zinc/52/77/68/1075527768.db2.gz JNROYWGGARDYLJ-JTQLQIEISA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579265504 1075527763 /nfs/dbraw/zinc/52/77/63/1075527763.db2.gz JNROYWGGARDYLJ-JTQLQIEISA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579265505 1075527842 /nfs/dbraw/zinc/52/78/42/1075527842.db2.gz JNROYWGGARDYLJ-SNVBAGLBSA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579265505 1075527841 /nfs/dbraw/zinc/52/78/41/1075527841.db2.gz JNROYWGGARDYLJ-SNVBAGLBSA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579265883 1075527692 /nfs/dbraw/zinc/52/76/92/1075527692.db2.gz PWYFFRQVSHTTHP-JTQLQIEISA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579265883 1075527689 /nfs/dbraw/zinc/52/76/89/1075527689.db2.gz PWYFFRQVSHTTHP-JTQLQIEISA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579265884 1075527849 /nfs/dbraw/zinc/52/78/49/1075527849.db2.gz PWYFFRQVSHTTHP-SNVBAGLBSA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001579265884 1075527847 /nfs/dbraw/zinc/52/78/47/1075527847.db2.gz PWYFFRQVSHTTHP-SNVBAGLBSA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579266198 1075527650 /nfs/dbraw/zinc/52/76/50/1075527650.db2.gz WZAIUNRYTOWZRM-SECBINFHSA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579266198 1075527647 /nfs/dbraw/zinc/52/76/47/1075527647.db2.gz WZAIUNRYTOWZRM-SECBINFHSA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@@H](O)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579266199 1075527813 /nfs/dbraw/zinc/52/78/13/1075527813.db2.gz WZAIUNRYTOWZRM-VIFPVBQESA-N 1 2 390.408 -1.819 20 0 GAADLO CN(C[C@@H](O)C[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579266199 1075527811 /nfs/dbraw/zinc/52/78/11/1075527811.db2.gz WZAIUNRYTOWZRM-VIFPVBQESA-N 1 2 390.408 -1.819 20 0 GAADLO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001579322780 1075553411 /nfs/dbraw/zinc/55/34/11/1075553411.db2.gz GZHIBUGHHVTWQG-HOSYDEDBSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001579322780 1075553410 /nfs/dbraw/zinc/55/34/10/1075553410.db2.gz GZHIBUGHHVTWQG-HOSYDEDBSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@H]2C1 ZINC001579322781 1075553382 /nfs/dbraw/zinc/55/33/82/1075553382.db2.gz GZHIBUGHHVTWQG-JBLDHEPKSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@H]2C1 ZINC001579322781 1075553381 /nfs/dbraw/zinc/55/33/81/1075553381.db2.gz GZHIBUGHHVTWQG-JBLDHEPKSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@H]2C1 ZINC001579322782 1075553479 /nfs/dbraw/zinc/55/34/79/1075553479.db2.gz GZHIBUGHHVTWQG-NHCYSSNCSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@H]2C1 ZINC001579322782 1075553475 /nfs/dbraw/zinc/55/34/75/1075553475.db2.gz GZHIBUGHHVTWQG-NHCYSSNCSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001579322783 1075553510 /nfs/dbraw/zinc/55/35/10/1075553510.db2.gz GZHIBUGHHVTWQG-UMNHJUIQSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)[C@@H]2C1 ZINC001579322783 1075553504 /nfs/dbraw/zinc/55/35/04/1075553504.db2.gz GZHIBUGHHVTWQG-UMNHJUIQSA-N 1 2 389.420 -1.232 20 0 GAADLO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323879 1075553568 /nfs/dbraw/zinc/55/35/68/1075553568.db2.gz YSZHIYUBNKYGMO-BJOHPYRUSA-N 1 2 376.377 -2.033 20 0 GAADLO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323879 1075553563 /nfs/dbraw/zinc/55/35/63/1075553563.db2.gz YSZHIYUBNKYGMO-BJOHPYRUSA-N 1 2 376.377 -2.033 20 0 GAADLO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323899 1075553622 /nfs/dbraw/zinc/55/36/22/1075553622.db2.gz YSZHIYUBNKYGMO-PSLIRLAXSA-N 1 2 376.377 -2.033 20 0 GAADLO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323899 1075553619 /nfs/dbraw/zinc/55/36/19/1075553619.db2.gz YSZHIYUBNKYGMO-PSLIRLAXSA-N 1 2 376.377 -2.033 20 0 GAADLO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323900 1075553391 /nfs/dbraw/zinc/55/33/91/1075553391.db2.gz YSZHIYUBNKYGMO-RFAUZJTJSA-N 1 2 376.377 -2.033 20 0 GAADLO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323900 1075553389 /nfs/dbraw/zinc/55/33/89/1075553389.db2.gz YSZHIYUBNKYGMO-RFAUZJTJSA-N 1 2 376.377 -2.033 20 0 GAADLO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323901 1075553534 /nfs/dbraw/zinc/55/35/34/1075553534.db2.gz YSZHIYUBNKYGMO-VFZGTOFNSA-N 1 2 376.377 -2.033 20 0 GAADLO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579323901 1075553533 /nfs/dbraw/zinc/55/35/33/1075553533.db2.gz YSZHIYUBNKYGMO-VFZGTOFNSA-N 1 2 376.377 -2.033 20 0 GAADLO C[NH+]1CCC(CCO)(NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001579347344 1075564688 /nfs/dbraw/zinc/56/46/88/1075564688.db2.gz CNHZJHSDYXIUIH-UHFFFAOYSA-N 1 2 392.420 -1.518 20 0 GAADLO C[NH+]1CCC(O)(CNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001579348556 1075565427 /nfs/dbraw/zinc/56/54/27/1075565427.db2.gz DJLADWOSOVDLRG-UHFFFAOYSA-N 1 2 378.393 -1.908 20 0 GAADLO CN1CC[C@@H]([N@H+]2CCC[C@@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348594 1075565542 /nfs/dbraw/zinc/56/55/42/1075565542.db2.gz FWBFMOPQOGVZGN-CXAGYDPISA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@@H+]2CCC[C@@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348594 1075565538 /nfs/dbraw/zinc/56/55/38/1075565538.db2.gz FWBFMOPQOGVZGN-CXAGYDPISA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@H+]2CCC[C@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348595 1075565399 /nfs/dbraw/zinc/56/53/99/1075565399.db2.gz FWBFMOPQOGVZGN-DYVFJYSZSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@@H+]2CCC[C@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348595 1075565393 /nfs/dbraw/zinc/56/53/93/1075565393.db2.gz FWBFMOPQOGVZGN-DYVFJYSZSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@H+]2CCC[C@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348596 1075565517 /nfs/dbraw/zinc/56/55/17/1075565517.db2.gz FWBFMOPQOGVZGN-GUYCJALGSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@@H+]2CCC[C@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348596 1075565514 /nfs/dbraw/zinc/56/55/14/1075565514.db2.gz FWBFMOPQOGVZGN-GUYCJALGSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@H+]2CCC[C@@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348597 1075565365 /nfs/dbraw/zinc/56/53/65/1075565365.db2.gz FWBFMOPQOGVZGN-SUMWQHHRSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@@H+]2CCC[C@@](CO)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O ZINC001579348597 1075565361 /nfs/dbraw/zinc/56/53/61/1075565361.db2.gz FWBFMOPQOGVZGN-SUMWQHHRSA-N 1 2 388.432 -1.018 20 0 GAADLO C[N@H+]1CCC[C@](O)(CC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349130 1075566024 /nfs/dbraw/zinc/56/60/24/1075566024.db2.gz AECYRWQNXMRMIL-INIZCTEOSA-N 1 2 390.404 -1.641 20 0 GAADLO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349130 1075566019 /nfs/dbraw/zinc/56/60/19/1075566019.db2.gz AECYRWQNXMRMIL-INIZCTEOSA-N 1 2 390.404 -1.641 20 0 GAADLO C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349133 1075565804 /nfs/dbraw/zinc/56/58/04/1075565804.db2.gz AECYRWQNXMRMIL-MRXNPFEDSA-N 1 2 390.404 -1.641 20 0 GAADLO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001579349133 1075565799 /nfs/dbraw/zinc/56/57/99/1075565799.db2.gz AECYRWQNXMRMIL-MRXNPFEDSA-N 1 2 390.404 -1.641 20 0 GAADLO CN1CC[C@@H]([N@H+]2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349351 1075565857 /nfs/dbraw/zinc/56/58/57/1075565857.db2.gz MJADDEXSSHUPKU-CXAGYDPISA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@@H+]2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349351 1075565851 /nfs/dbraw/zinc/56/58/51/1075565851.db2.gz MJADDEXSSHUPKU-CXAGYDPISA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@H+]2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349353 1075565897 /nfs/dbraw/zinc/56/58/97/1075565897.db2.gz MJADDEXSSHUPKU-DYVFJYSZSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@@H+]2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349353 1075565895 /nfs/dbraw/zinc/56/58/95/1075565895.db2.gz MJADDEXSSHUPKU-DYVFJYSZSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@H+]2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349355 1075565821 /nfs/dbraw/zinc/56/58/21/1075565821.db2.gz MJADDEXSSHUPKU-GUYCJALGSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@@H+]2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349355 1075565818 /nfs/dbraw/zinc/56/58/18/1075565818.db2.gz MJADDEXSSHUPKU-GUYCJALGSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@H+]2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349357 1075565929 /nfs/dbraw/zinc/56/59/29/1075565929.db2.gz MJADDEXSSHUPKU-SUMWQHHRSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@@H+]2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1=O ZINC001579349357 1075565925 /nfs/dbraw/zinc/56/59/25/1075565925.db2.gz MJADDEXSSHUPKU-SUMWQHHRSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@H+]2CCC[C@@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349491 1075566047 /nfs/dbraw/zinc/56/60/47/1075566047.db2.gz NWAPRANYJRTVRD-CXAGYDPISA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@@H+]2CCC[C@@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349491 1075566043 /nfs/dbraw/zinc/56/60/43/1075566043.db2.gz NWAPRANYJRTVRD-CXAGYDPISA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@H+]2CCC[C@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349492 1075565764 /nfs/dbraw/zinc/56/57/64/1075565764.db2.gz NWAPRANYJRTVRD-DYVFJYSZSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@@H]([N@@H+]2CCC[C@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349492 1075565761 /nfs/dbraw/zinc/56/57/61/1075565761.db2.gz NWAPRANYJRTVRD-DYVFJYSZSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@H+]2CCC[C@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349493 1075565988 /nfs/dbraw/zinc/56/59/88/1075565988.db2.gz NWAPRANYJRTVRD-GUYCJALGSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@@H+]2CCC[C@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349493 1075565983 /nfs/dbraw/zinc/56/59/83/1075565983.db2.gz NWAPRANYJRTVRD-GUYCJALGSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@H+]2CCC[C@@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349494 1075566344 /nfs/dbraw/zinc/56/63/44/1075566344.db2.gz NWAPRANYJRTVRD-SUMWQHHRSA-N 1 2 388.432 -1.018 20 0 GAADLO CN1CC[C@H]([N@@H+]2CCC[C@@](CO)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001579349494 1075566339 /nfs/dbraw/zinc/56/63/39/1075566339.db2.gz NWAPRANYJRTVRD-SUMWQHHRSA-N 1 2 388.432 -1.018 20 0 GAADLO C[NH+]1CCC(N(CCO)C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001579349627 1075566310 /nfs/dbraw/zinc/56/63/10/1075566310.db2.gz RGKYJCMIBRHLMU-UHFFFAOYSA-N 1 2 378.393 -1.956 20 0 GAADLO CN1CC[C@H]([NH+]2CCN(CCNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1=O ZINC001579349905 1075566423 /nfs/dbraw/zinc/56/64/23/1075566423.db2.gz VCONIJUSUKLNLS-AWEZNQCLSA-N 1 2 387.448 -1.227 20 0 GAADLO CN1CC[C@@H]([NH+]2CCN(CCNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1=O ZINC001579349906 1075566320 /nfs/dbraw/zinc/56/63/20/1075566320.db2.gz VCONIJUSUKLNLS-CQSZACIVSA-N 1 2 387.448 -1.227 20 0 GAADLO CN1CC[C@H]([NH+]2CCC(Nc3[nH]c(=O)n(C)c(=O)c3-c3nn[nH]n3)CC2)C1=O ZINC001579350070 1075566793 /nfs/dbraw/zinc/56/67/93/1075566793.db2.gz XBTJIDBIIMBTLE-JTQLQIEISA-N 1 2 389.420 -1.227 20 0 GAADLO CN1CC[C@@H]([NH+]2CCC(Nc3[nH]c(=O)n(C)c(=O)c3-c3nn[nH]n3)CC2)C1=O ZINC001579350072 1075566712 /nfs/dbraw/zinc/56/67/12/1075566712.db2.gz XBTJIDBIIMBTLE-SNVBAGLBSA-N 1 2 389.420 -1.227 20 0 GAADLO C[N@H+]1CCC[C@](O)(CC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579350658 1075567055 /nfs/dbraw/zinc/56/70/55/1075567055.db2.gz HLTTURUDRIVWEX-HNNXBMFYSA-N 1 2 378.393 -1.908 20 0 GAADLO C[N@@H+]1CCC[C@](O)(CC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579350658 1075567053 /nfs/dbraw/zinc/56/70/53/1075567053.db2.gz HLTTURUDRIVWEX-HNNXBMFYSA-N 1 2 378.393 -1.908 20 0 GAADLO C[N@H+]1CCC[C@@](O)(CC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579350659 1075567113 /nfs/dbraw/zinc/56/71/13/1075567113.db2.gz HLTTURUDRIVWEX-OAHLLOKOSA-N 1 2 378.393 -1.908 20 0 GAADLO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579350659 1075567111 /nfs/dbraw/zinc/56/71/11/1075567111.db2.gz HLTTURUDRIVWEX-OAHLLOKOSA-N 1 2 378.393 -1.908 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c1=O ZINC001579355606 1075567840 /nfs/dbraw/zinc/56/78/40/1075567840.db2.gz FRYXUVUMDIKKKR-JTQLQIEISA-N 1 2 389.420 -2.004 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c1=O ZINC001579355606 1075567838 /nfs/dbraw/zinc/56/78/38/1075567838.db2.gz FRYXUVUMDIKKKR-JTQLQIEISA-N 1 2 389.420 -2.004 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(-c2nn[nH]n2)c1=O ZINC001579355610 1075567883 /nfs/dbraw/zinc/56/78/83/1075567883.db2.gz FRYXUVUMDIKKKR-SNVBAGLBSA-N 1 2 389.420 -2.004 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c1=O ZINC001579355610 1075567879 /nfs/dbraw/zinc/56/78/79/1075567879.db2.gz FRYXUVUMDIKKKR-SNVBAGLBSA-N 1 2 389.420 -2.004 20 0 GAADLO C[N@H+]1CCC[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579358340 1075567827 /nfs/dbraw/zinc/56/78/27/1075567827.db2.gz CGDDTWDHIHUXNW-CYBMUJFWSA-N 1 2 386.464 -1.011 20 0 GAADLO C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579358340 1075567826 /nfs/dbraw/zinc/56/78/26/1075567826.db2.gz CGDDTWDHIHUXNW-CYBMUJFWSA-N 1 2 386.464 -1.011 20 0 GAADLO C[N@H+]1CCC[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579358341 1075567833 /nfs/dbraw/zinc/56/78/33/1075567833.db2.gz CGDDTWDHIHUXNW-ZDUSSCGKSA-N 1 2 386.464 -1.011 20 0 GAADLO C[N@@H+]1CCC[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579358341 1075567832 /nfs/dbraw/zinc/56/78/32/1075567832.db2.gz CGDDTWDHIHUXNW-ZDUSSCGKSA-N 1 2 386.464 -1.011 20 0 GAADLO C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579363036 1075568860 /nfs/dbraw/zinc/56/88/60/1075568860.db2.gz WAVJJYQNFMARNK-GFCCVEGCSA-N 1 2 375.437 -1.204 20 0 GAADLO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579363036 1075568858 /nfs/dbraw/zinc/56/88/58/1075568858.db2.gz WAVJJYQNFMARNK-GFCCVEGCSA-N 1 2 375.437 -1.204 20 0 GAADLO C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579363037 1075568877 /nfs/dbraw/zinc/56/88/77/1075568877.db2.gz WAVJJYQNFMARNK-LBPRGKRZSA-N 1 2 375.437 -1.204 20 0 GAADLO C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001579363037 1075568874 /nfs/dbraw/zinc/56/88/74/1075568874.db2.gz WAVJJYQNFMARNK-LBPRGKRZSA-N 1 2 375.437 -1.204 20 0 GAADLO CN1CC[NH+](C2CCN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001579374539 1075570405 /nfs/dbraw/zinc/57/04/05/1075570405.db2.gz BQYZSTRKNGFUIH-UHFFFAOYSA-N 1 2 389.468 -1.120 20 0 GAADLO C[NH+]1CCN(C2CN(C(=O)Cn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001579374593 1075570484 /nfs/dbraw/zinc/57/04/84/1075570484.db2.gz FBOAMUOVQDFEAP-UHFFFAOYSA-N 1 2 375.393 -2.413 20 0 GAADLO C[NH+]1CCN(C2CN(C(=O)CCn3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001579375009 1075571191 /nfs/dbraw/zinc/57/11/91/1075571191.db2.gz NWGBFAFXGMVJFU-UHFFFAOYSA-N 1 2 389.420 -2.023 20 0 GAADLO CN1CCN(CC(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1=O ZINC001579375015 1075571559 /nfs/dbraw/zinc/57/15/59/1075571559.db2.gz OCLUSJRMXDUSEU-UHFFFAOYSA-N 1 2 384.444 -1.059 20 0 GAADLO CN1CCN(CC(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1=O ZINC001579375439 1075572584 /nfs/dbraw/zinc/57/25/84/1075572584.db2.gz ZVWUQLRJPJYAEB-UHFFFAOYSA-N 1 2 384.444 -1.059 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375637 1075572625 /nfs/dbraw/zinc/57/26/25/1075572625.db2.gz ANQOFUQATAHWTJ-CMPLNLGQSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375637 1075572620 /nfs/dbraw/zinc/57/26/20/1075572620.db2.gz ANQOFUQATAHWTJ-CMPLNLGQSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375638 1075572442 /nfs/dbraw/zinc/57/24/42/1075572442.db2.gz ANQOFUQATAHWTJ-JQWIXIFHSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375638 1075572439 /nfs/dbraw/zinc/57/24/39/1075572439.db2.gz ANQOFUQATAHWTJ-JQWIXIFHSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375639 1075572665 /nfs/dbraw/zinc/57/26/65/1075572665.db2.gz ANQOFUQATAHWTJ-PWSUYJOCSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375639 1075572663 /nfs/dbraw/zinc/57/26/63/1075572663.db2.gz ANQOFUQATAHWTJ-PWSUYJOCSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375640 1075572652 /nfs/dbraw/zinc/57/26/52/1075572652.db2.gz ANQOFUQATAHWTJ-ZYHUDNBSSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579375640 1075572650 /nfs/dbraw/zinc/57/26/50/1075572650.db2.gz ANQOFUQATAHWTJ-ZYHUDNBSSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375673 1075572472 /nfs/dbraw/zinc/57/24/72/1075572472.db2.gz BISPYKKDDZQBJM-NEPJUHHUSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375673 1075572465 /nfs/dbraw/zinc/57/24/65/1075572465.db2.gz BISPYKKDDZQBJM-NEPJUHHUSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375674 1075572490 /nfs/dbraw/zinc/57/24/90/1075572490.db2.gz BISPYKKDDZQBJM-NWDGAFQWSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375674 1075572486 /nfs/dbraw/zinc/57/24/86/1075572486.db2.gz BISPYKKDDZQBJM-NWDGAFQWSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375675 1075572698 /nfs/dbraw/zinc/57/26/98/1075572698.db2.gz BISPYKKDDZQBJM-RYUDHWBXSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375675 1075572695 /nfs/dbraw/zinc/57/26/95/1075572695.db2.gz BISPYKKDDZQBJM-RYUDHWBXSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375676 1075572504 /nfs/dbraw/zinc/57/25/04/1075572504.db2.gz BISPYKKDDZQBJM-VXGBXAGGSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579375676 1075572501 /nfs/dbraw/zinc/57/25/01/1075572501.db2.gz BISPYKKDDZQBJM-VXGBXAGGSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579375961 1075573080 /nfs/dbraw/zinc/57/30/80/1075573080.db2.gz IFRVWJLPABXAAH-UZGDPCLZSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579375961 1075573074 /nfs/dbraw/zinc/57/30/74/1075573074.db2.gz IFRVWJLPABXAAH-UZGDPCLZSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579375962 1075572961 /nfs/dbraw/zinc/57/29/61/1075572961.db2.gz IFRVWJLPABXAAH-WVWOOGAGSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579375962 1075572956 /nfs/dbraw/zinc/57/29/56/1075572956.db2.gz IFRVWJLPABXAAH-WVWOOGAGSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376329 1075573988 /nfs/dbraw/zinc/57/39/88/1075573988.db2.gz PEPQXNXBLSXQLK-BXKDBHETSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376329 1075573984 /nfs/dbraw/zinc/57/39/84/1075573984.db2.gz PEPQXNXBLSXQLK-BXKDBHETSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376330 1075573970 /nfs/dbraw/zinc/57/39/70/1075573970.db2.gz PEPQXNXBLSXQLK-CABZTGNLSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376330 1075573968 /nfs/dbraw/zinc/57/39/68/1075573968.db2.gz PEPQXNXBLSXQLK-CABZTGNLSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376331 1075574151 /nfs/dbraw/zinc/57/41/51/1075574151.db2.gz PEPQXNXBLSXQLK-JOYOIKCWSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376331 1075574145 /nfs/dbraw/zinc/57/41/45/1075574145.db2.gz PEPQXNXBLSXQLK-JOYOIKCWSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376332 1075574097 /nfs/dbraw/zinc/57/40/97/1075574097.db2.gz PEPQXNXBLSXQLK-SKDRFNHKSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376332 1075574095 /nfs/dbraw/zinc/57/40/95/1075574095.db2.gz PEPQXNXBLSXQLK-SKDRFNHKSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]3C2)C1 ZINC001579376339 1075574070 /nfs/dbraw/zinc/57/40/70/1075574070.db2.gz PISMWUXLEUCGIB-MBNYWOFBSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]3C2)C1 ZINC001579376339 1075574068 /nfs/dbraw/zinc/57/40/68/1075574068.db2.gz PISMWUXLEUCGIB-MBNYWOFBSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]3C2)C1 ZINC001579376340 1075574617 /nfs/dbraw/zinc/57/46/17/1075574617.db2.gz PISMWUXLEUCGIB-SCRDCRAPSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]3C2)C1 ZINC001579376340 1075574612 /nfs/dbraw/zinc/57/46/12/1075574612.db2.gz PISMWUXLEUCGIB-SCRDCRAPSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376371 1075574699 /nfs/dbraw/zinc/57/46/99/1075574699.db2.gz QHFUAVQMRBJQRM-OBJOEFQTSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376371 1075574694 /nfs/dbraw/zinc/57/46/94/1075574694.db2.gz QHFUAVQMRBJQRM-OBJOEFQTSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376372 1075574581 /nfs/dbraw/zinc/57/45/81/1075574581.db2.gz QHFUAVQMRBJQRM-SGMGOOAPSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376372 1075574577 /nfs/dbraw/zinc/57/45/77/1075574577.db2.gz QHFUAVQMRBJQRM-SGMGOOAPSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579376439 1075574458 /nfs/dbraw/zinc/57/44/58/1075574458.db2.gz RSXRDYHLDYMOKY-OBJOEFQTSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579376439 1075574455 /nfs/dbraw/zinc/57/44/55/1075574455.db2.gz RSXRDYHLDYMOKY-OBJOEFQTSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579376440 1075574506 /nfs/dbraw/zinc/57/45/06/1075574506.db2.gz RSXRDYHLDYMOKY-SGMGOOAPSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579376440 1075574501 /nfs/dbraw/zinc/57/45/01/1075574501.db2.gz RSXRDYHLDYMOKY-SGMGOOAPSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376619 1075575251 /nfs/dbraw/zinc/57/52/51/1075575251.db2.gz UIHZXGUCSBCZQN-AAEUAGOBSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376619 1075575250 /nfs/dbraw/zinc/57/52/50/1075575250.db2.gz UIHZXGUCSBCZQN-AAEUAGOBSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376620 1075575065 /nfs/dbraw/zinc/57/50/65/1075575065.db2.gz UIHZXGUCSBCZQN-DGCLKSJQSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376620 1075575061 /nfs/dbraw/zinc/57/50/61/1075575061.db2.gz UIHZXGUCSBCZQN-DGCLKSJQSA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376621 1075575311 /nfs/dbraw/zinc/57/53/11/1075575311.db2.gz UIHZXGUCSBCZQN-WCQYABFASA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376621 1075575306 /nfs/dbraw/zinc/57/53/06/1075575306.db2.gz UIHZXGUCSBCZQN-WCQYABFASA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376622 1075575121 /nfs/dbraw/zinc/57/51/21/1075575121.db2.gz UIHZXGUCSBCZQN-YPMHNXCESA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579376622 1075575117 /nfs/dbraw/zinc/57/51/17/1075575117.db2.gz UIHZXGUCSBCZQN-YPMHNXCESA-N 1 2 389.420 -1.373 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001579376633 1075575234 /nfs/dbraw/zinc/57/52/34/1075575234.db2.gz UOOBIFTVQCTKBK-AGIUHOORSA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001579376633 1075575231 /nfs/dbraw/zinc/57/52/31/1075575231.db2.gz UOOBIFTVQCTKBK-AGIUHOORSA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001579376634 1075575169 /nfs/dbraw/zinc/57/51/69/1075575169.db2.gz UOOBIFTVQCTKBK-FRRDWIJNSA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001579376634 1075575164 /nfs/dbraw/zinc/57/51/64/1075575164.db2.gz UOOBIFTVQCTKBK-FRRDWIJNSA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579376635 1075575143 /nfs/dbraw/zinc/57/51/43/1075575143.db2.gz UOOBIFTVQCTKBK-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579376635 1075575138 /nfs/dbraw/zinc/57/51/38/1075575138.db2.gz UOOBIFTVQCTKBK-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579376636 1075575077 /nfs/dbraw/zinc/57/50/77/1075575077.db2.gz UOOBIFTVQCTKBK-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001579376636 1075575075 /nfs/dbraw/zinc/57/50/75/1075575075.db2.gz UOOBIFTVQCTKBK-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[NH+]1CCN(CCCS(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001579376766 1075575191 /nfs/dbraw/zinc/57/51/91/1075575191.db2.gz FAKLNPQWBQHERK-UHFFFAOYSA-N 1 2 384.470 -1.985 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376783 1075575340 /nfs/dbraw/zinc/57/53/40/1075575340.db2.gz WUYRLXSDWCZZHO-COPLHBTASA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376783 1075575336 /nfs/dbraw/zinc/57/53/36/1075575336.db2.gz WUYRLXSDWCZZHO-COPLHBTASA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376787 1075574941 /nfs/dbraw/zinc/57/49/41/1075574941.db2.gz WUYRLXSDWCZZHO-MJVIPROJSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579376787 1075574935 /nfs/dbraw/zinc/57/49/35/1075574935.db2.gz WUYRLXSDWCZZHO-MJVIPROJSA-N 1 2 386.416 -1.049 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579376801 1075575278 /nfs/dbraw/zinc/57/52/78/1075575278.db2.gz FNULLLDTIWDYQP-GFCCVEGCSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579376801 1075575274 /nfs/dbraw/zinc/57/52/74/1075575274.db2.gz FNULLLDTIWDYQP-GFCCVEGCSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579376804 1075575045 /nfs/dbraw/zinc/57/50/45/1075575045.db2.gz FNULLLDTIWDYQP-LBPRGKRZSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579376804 1075575041 /nfs/dbraw/zinc/57/50/41/1075575041.db2.gz FNULLLDTIWDYQP-LBPRGKRZSA-N 1 2 377.409 -1.780 20 0 GAADLO CN1CCO[C@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579376853 1075574996 /nfs/dbraw/zinc/57/49/96/1075574996.db2.gz GCVFFLVMDBIBLO-AWEZNQCLSA-N 1 2 376.421 -1.753 20 0 GAADLO CN1CCO[C@@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579376854 1075575105 /nfs/dbraw/zinc/57/51/05/1075575105.db2.gz GCVFFLVMDBIBLO-CQSZACIVSA-N 1 2 376.421 -1.753 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376899 1075575706 /nfs/dbraw/zinc/57/57/06/1075575706.db2.gz YERYHFZYSSZLGE-CMPLNLGQSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376899 1075575702 /nfs/dbraw/zinc/57/57/02/1075575702.db2.gz YERYHFZYSSZLGE-CMPLNLGQSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376900 1075575620 /nfs/dbraw/zinc/57/56/20/1075575620.db2.gz YERYHFZYSSZLGE-JQWIXIFHSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376900 1075575610 /nfs/dbraw/zinc/57/56/10/1075575610.db2.gz YERYHFZYSSZLGE-JQWIXIFHSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376901 1075575895 /nfs/dbraw/zinc/57/58/95/1075575895.db2.gz YERYHFZYSSZLGE-PWSUYJOCSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376901 1075575890 /nfs/dbraw/zinc/57/58/90/1075575890.db2.gz YERYHFZYSSZLGE-PWSUYJOCSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376902 1075575784 /nfs/dbraw/zinc/57/57/84/1075575784.db2.gz YERYHFZYSSZLGE-ZYHUDNBSSA-N 1 2 378.393 -2.268 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579376902 1075575781 /nfs/dbraw/zinc/57/57/81/1075575781.db2.gz YERYHFZYSSZLGE-ZYHUDNBSSA-N 1 2 378.393 -2.268 20 0 GAADLO CN1CCO[C@H](C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376903 1075575827 /nfs/dbraw/zinc/57/58/27/1075575827.db2.gz YEYOKSKDMNHSSG-DOMZBBRYSA-N 1 2 388.432 -1.347 20 0 GAADLO CN1CCO[C@@H](C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376904 1075575795 /nfs/dbraw/zinc/57/57/95/1075575795.db2.gz YEYOKSKDMNHSSG-IUODEOHRSA-N 1 2 388.432 -1.347 20 0 GAADLO CN1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376905 1075575863 /nfs/dbraw/zinc/57/58/63/1075575863.db2.gz YEYOKSKDMNHSSG-SWLSCSKDSA-N 1 2 388.432 -1.347 20 0 GAADLO CN1CCO[C@H](C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376906 1075575648 /nfs/dbraw/zinc/57/56/48/1075575648.db2.gz YEYOKSKDMNHSSG-WFASDCNBSA-N 1 2 388.432 -1.347 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579376941 1075575733 /nfs/dbraw/zinc/57/57/33/1075575733.db2.gz YUAHARKSMDHFTH-FRRDWIJNSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579376941 1075575729 /nfs/dbraw/zinc/57/57/29/1075575729.db2.gz YUAHARKSMDHFTH-FRRDWIJNSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579376942 1075575759 /nfs/dbraw/zinc/57/57/59/1075575759.db2.gz YUAHARKSMDHFTH-XQQFMLRXSA-N 1 2 385.432 -1.118 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001579376942 1075575754 /nfs/dbraw/zinc/57/57/54/1075575754.db2.gz YUAHARKSMDHFTH-XQQFMLRXSA-N 1 2 385.432 -1.118 20 0 GAADLO CN(C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377043 1075576315 /nfs/dbraw/zinc/57/63/15/1075576315.db2.gz GJZFOFANYYSUHV-CMPLNLGQSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377043 1075576308 /nfs/dbraw/zinc/57/63/08/1075576308.db2.gz GJZFOFANYYSUHV-CMPLNLGQSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377044 1075576124 /nfs/dbraw/zinc/57/61/24/1075576124.db2.gz GJZFOFANYYSUHV-JQWIXIFHSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377044 1075576122 /nfs/dbraw/zinc/57/61/22/1075576122.db2.gz GJZFOFANYYSUHV-JQWIXIFHSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377045 1075576341 /nfs/dbraw/zinc/57/63/41/1075576341.db2.gz GJZFOFANYYSUHV-PWSUYJOCSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377045 1075576336 /nfs/dbraw/zinc/57/63/36/1075576336.db2.gz GJZFOFANYYSUHV-PWSUYJOCSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377046 1075576466 /nfs/dbraw/zinc/57/64/66/1075576466.db2.gz GJZFOFANYYSUHV-ZYHUDNBSSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377046 1075576465 /nfs/dbraw/zinc/57/64/65/1075576465.db2.gz GJZFOFANYYSUHV-ZYHUDNBSSA-N 1 2 377.409 -1.782 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001579377212 1075576198 /nfs/dbraw/zinc/57/61/98/1075576198.db2.gz KRQNQRKKPYNFMC-LLVKDONJSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001579377212 1075576192 /nfs/dbraw/zinc/57/61/92/1075576192.db2.gz KRQNQRKKPYNFMC-LLVKDONJSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001579377213 1075576418 /nfs/dbraw/zinc/57/64/18/1075576418.db2.gz KRQNQRKKPYNFMC-NSHDSACASA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)C1 ZINC001579377213 1075576416 /nfs/dbraw/zinc/57/64/16/1075576416.db2.gz KRQNQRKKPYNFMC-NSHDSACASA-N 1 2 377.409 -1.780 20 0 GAADLO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377301 1075576442 /nfs/dbraw/zinc/57/64/42/1075576442.db2.gz MKIHFIYNFTZWLN-GHMZBOCLSA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377301 1075576439 /nfs/dbraw/zinc/57/64/39/1075576439.db2.gz MKIHFIYNFTZWLN-GHMZBOCLSA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377302 1075576401 /nfs/dbraw/zinc/57/64/01/1075576401.db2.gz MKIHFIYNFTZWLN-MNOVXSKESA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377302 1075576397 /nfs/dbraw/zinc/57/63/97/1075576397.db2.gz MKIHFIYNFTZWLN-MNOVXSKESA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377303 1075576818 /nfs/dbraw/zinc/57/68/18/1075576818.db2.gz MKIHFIYNFTZWLN-QWRGUYRKSA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377303 1075576815 /nfs/dbraw/zinc/57/68/15/1075576815.db2.gz MKIHFIYNFTZWLN-QWRGUYRKSA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377304 1075576753 /nfs/dbraw/zinc/57/67/53/1075576753.db2.gz MKIHFIYNFTZWLN-WDEREUQCSA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377304 1075576750 /nfs/dbraw/zinc/57/67/50/1075576750.db2.gz MKIHFIYNFTZWLN-WDEREUQCSA-N 1 2 377.409 -2.360 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377314 1075576766 /nfs/dbraw/zinc/57/67/66/1075576766.db2.gz MUCRCRZWYGREPZ-AAEUAGOBSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377314 1075576764 /nfs/dbraw/zinc/57/67/64/1075576764.db2.gz MUCRCRZWYGREPZ-AAEUAGOBSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377315 1075576933 /nfs/dbraw/zinc/57/69/33/1075576933.db2.gz MUCRCRZWYGREPZ-DGCLKSJQSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377315 1075576929 /nfs/dbraw/zinc/57/69/29/1075576929.db2.gz MUCRCRZWYGREPZ-DGCLKSJQSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377316 1075576954 /nfs/dbraw/zinc/57/69/54/1075576954.db2.gz MUCRCRZWYGREPZ-WCQYABFASA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377316 1075576952 /nfs/dbraw/zinc/57/69/52/1075576952.db2.gz MUCRCRZWYGREPZ-WCQYABFASA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377317 1075576642 /nfs/dbraw/zinc/57/66/42/1075576642.db2.gz MUCRCRZWYGREPZ-YPMHNXCESA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377317 1075576637 /nfs/dbraw/zinc/57/66/37/1075576637.db2.gz MUCRCRZWYGREPZ-YPMHNXCESA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001579377342 1075576873 /nfs/dbraw/zinc/57/68/73/1075576873.db2.gz NFWGOXCPMJEWHX-BXUZGUMPSA-N 1 2 376.421 -1.755 20 0 GAADLO CN(C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001579377343 1075576667 /nfs/dbraw/zinc/57/66/67/1075576667.db2.gz NFWGOXCPMJEWHX-FZMZJTMJSA-N 1 2 376.421 -1.755 20 0 GAADLO CN(C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001579377344 1075576828 /nfs/dbraw/zinc/57/68/28/1075576828.db2.gz NFWGOXCPMJEWHX-RISCZKNCSA-N 1 2 376.421 -1.755 20 0 GAADLO CN(C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001579377345 1075576687 /nfs/dbraw/zinc/57/66/87/1075576687.db2.gz NFWGOXCPMJEWHX-SMDDNHRTSA-N 1 2 376.421 -1.755 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579377346 1075576849 /nfs/dbraw/zinc/57/68/49/1075576849.db2.gz NIENRDHXUHSBQX-CYBMUJFWSA-N 1 2 392.420 -1.924 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579377346 1075576847 /nfs/dbraw/zinc/57/68/47/1075576847.db2.gz NIENRDHXUHSBQX-CYBMUJFWSA-N 1 2 392.420 -1.924 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579377347 1075576784 /nfs/dbraw/zinc/57/67/84/1075576784.db2.gz NIENRDHXUHSBQX-ZDUSSCGKSA-N 1 2 392.420 -1.924 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579377347 1075576781 /nfs/dbraw/zinc/57/67/81/1075576781.db2.gz NIENRDHXUHSBQX-ZDUSSCGKSA-N 1 2 392.420 -1.924 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579377372 1075576888 /nfs/dbraw/zinc/57/68/88/1075576888.db2.gz NXXADXMHPSPYMT-GFCCVEGCSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579377372 1075576885 /nfs/dbraw/zinc/57/68/85/1075576885.db2.gz NXXADXMHPSPYMT-GFCCVEGCSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579377373 1075576734 /nfs/dbraw/zinc/57/67/34/1075576734.db2.gz NXXADXMHPSPYMT-LBPRGKRZSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579377373 1075576731 /nfs/dbraw/zinc/57/67/31/1075576731.db2.gz NXXADXMHPSPYMT-LBPRGKRZSA-N 1 2 377.409 -1.780 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377422 1075576913 /nfs/dbraw/zinc/57/69/13/1075576913.db2.gz PLNFREZHJFNECG-AAEUAGOBSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377422 1075576907 /nfs/dbraw/zinc/57/69/07/1075576907.db2.gz PLNFREZHJFNECG-AAEUAGOBSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377423 1075576803 /nfs/dbraw/zinc/57/68/03/1075576803.db2.gz PLNFREZHJFNECG-DGCLKSJQSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377423 1075576799 /nfs/dbraw/zinc/57/67/99/1075576799.db2.gz PLNFREZHJFNECG-DGCLKSJQSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377424 1075576837 /nfs/dbraw/zinc/57/68/37/1075576837.db2.gz PLNFREZHJFNECG-WCQYABFASA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377424 1075576834 /nfs/dbraw/zinc/57/68/34/1075576834.db2.gz PLNFREZHJFNECG-WCQYABFASA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377425 1075576979 /nfs/dbraw/zinc/57/69/79/1075576979.db2.gz PLNFREZHJFNECG-YPMHNXCESA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377425 1075576974 /nfs/dbraw/zinc/57/69/74/1075576974.db2.gz PLNFREZHJFNECG-YPMHNXCESA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377581 1075577518 /nfs/dbraw/zinc/57/75/18/1075577518.db2.gz RHWRDPRDJIGVQG-NEPJUHHUSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377581 1075577517 /nfs/dbraw/zinc/57/75/17/1075577517.db2.gz RHWRDPRDJIGVQG-NEPJUHHUSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377582 1075577505 /nfs/dbraw/zinc/57/75/05/1075577505.db2.gz RHWRDPRDJIGVQG-NWDGAFQWSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377582 1075577504 /nfs/dbraw/zinc/57/75/04/1075577504.db2.gz RHWRDPRDJIGVQG-NWDGAFQWSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377583 1075577206 /nfs/dbraw/zinc/57/72/06/1075577206.db2.gz RHWRDPRDJIGVQG-RYUDHWBXSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377583 1075577202 /nfs/dbraw/zinc/57/72/02/1075577202.db2.gz RHWRDPRDJIGVQG-RYUDHWBXSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377584 1075577488 /nfs/dbraw/zinc/57/74/88/1075577488.db2.gz RHWRDPRDJIGVQG-VXGBXAGGSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377584 1075577487 /nfs/dbraw/zinc/57/74/87/1075577487.db2.gz RHWRDPRDJIGVQG-VXGBXAGGSA-N 1 2 391.436 -1.757 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579377604 1075577185 /nfs/dbraw/zinc/57/71/85/1075577185.db2.gz RXXQCVLADQHPMZ-AWEZNQCLSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579377604 1075577181 /nfs/dbraw/zinc/57/71/81/1075577181.db2.gz RXXQCVLADQHPMZ-AWEZNQCLSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579377605 1075577221 /nfs/dbraw/zinc/57/72/21/1075577221.db2.gz RXXQCVLADQHPMZ-CQSZACIVSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001579377605 1075577218 /nfs/dbraw/zinc/57/72/18/1075577218.db2.gz RXXQCVLADQHPMZ-CQSZACIVSA-N 1 2 376.421 -1.175 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377626 1075577500 /nfs/dbraw/zinc/57/75/00/1075577500.db2.gz SJDHEYOHGMOMKV-AAEUAGOBSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377626 1075577499 /nfs/dbraw/zinc/57/74/99/1075577499.db2.gz SJDHEYOHGMOMKV-AAEUAGOBSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377627 1075577294 /nfs/dbraw/zinc/57/72/94/1075577294.db2.gz SJDHEYOHGMOMKV-DGCLKSJQSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377627 1075577281 /nfs/dbraw/zinc/57/72/81/1075577281.db2.gz SJDHEYOHGMOMKV-DGCLKSJQSA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377628 1075577525 /nfs/dbraw/zinc/57/75/25/1075577525.db2.gz SJDHEYOHGMOMKV-WCQYABFASA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377628 1075577523 /nfs/dbraw/zinc/57/75/23/1075577523.db2.gz SJDHEYOHGMOMKV-WCQYABFASA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377629 1075577511 /nfs/dbraw/zinc/57/75/11/1075577511.db2.gz SJDHEYOHGMOMKV-YPMHNXCESA-N 1 2 391.436 -1.757 20 0 GAADLO CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377629 1075577510 /nfs/dbraw/zinc/57/75/10/1075577510.db2.gz SJDHEYOHGMOMKV-YPMHNXCESA-N 1 2 391.436 -1.757 20 0 GAADLO C[N@H+]1CCN(CCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1(C)C ZINC001579377736 1075577467 /nfs/dbraw/zinc/57/74/67/1075577467.db2.gz SLFJJGWBMVVIAI-UHFFFAOYSA-N 1 2 391.436 -1.729 20 0 GAADLO C[N@@H+]1CCN(CCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1(C)C ZINC001579377736 1075577466 /nfs/dbraw/zinc/57/74/66/1075577466.db2.gz SLFJJGWBMVVIAI-UHFFFAOYSA-N 1 2 391.436 -1.729 20 0 GAADLO CN(C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377748 1075577407 /nfs/dbraw/zinc/57/74/07/1075577407.db2.gz SUCGAMIKYPFPDS-CMPLNLGQSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377748 1075577399 /nfs/dbraw/zinc/57/73/99/1075577399.db2.gz SUCGAMIKYPFPDS-CMPLNLGQSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377749 1075577358 /nfs/dbraw/zinc/57/73/58/1075577358.db2.gz SUCGAMIKYPFPDS-JQWIXIFHSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377749 1075577355 /nfs/dbraw/zinc/57/73/55/1075577355.db2.gz SUCGAMIKYPFPDS-JQWIXIFHSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377750 1075577255 /nfs/dbraw/zinc/57/72/55/1075577255.db2.gz SUCGAMIKYPFPDS-PWSUYJOCSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377750 1075577251 /nfs/dbraw/zinc/57/72/51/1075577251.db2.gz SUCGAMIKYPFPDS-PWSUYJOCSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377751 1075577331 /nfs/dbraw/zinc/57/73/31/1075577331.db2.gz SUCGAMIKYPFPDS-ZYHUDNBSSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377751 1075577325 /nfs/dbraw/zinc/57/73/25/1075577325.db2.gz SUCGAMIKYPFPDS-ZYHUDNBSSA-N 1 2 377.409 -1.782 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@H]32)C1 ZINC001579377940 1075577719 /nfs/dbraw/zinc/57/77/19/1075577719.db2.gz BIJRFAZAPHFOOY-GIFSMMMISA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@H]32)C1 ZINC001579377940 1075577716 /nfs/dbraw/zinc/57/77/16/1075577716.db2.gz BIJRFAZAPHFOOY-GIFSMMMISA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@H]32)C1 ZINC001579377941 1075578069 /nfs/dbraw/zinc/57/80/69/1075578069.db2.gz BIJRFAZAPHFOOY-QOBDMFJFSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@H]32)C1 ZINC001579377941 1075578064 /nfs/dbraw/zinc/57/80/64/1075578064.db2.gz BIJRFAZAPHFOOY-QOBDMFJFSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377956 1075578002 /nfs/dbraw/zinc/57/80/02/1075578002.db2.gz BUMBDFLHCAUAKN-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377956 1075577996 /nfs/dbraw/zinc/57/79/96/1075577996.db2.gz BUMBDFLHCAUAKN-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377957 1075577703 /nfs/dbraw/zinc/57/77/03/1075577703.db2.gz BUMBDFLHCAUAKN-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377957 1075577699 /nfs/dbraw/zinc/57/76/99/1075577699.db2.gz BUMBDFLHCAUAKN-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377958 1075577738 /nfs/dbraw/zinc/57/77/38/1075577738.db2.gz BUMBDFLHCAUAKN-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377958 1075577734 /nfs/dbraw/zinc/57/77/34/1075577734.db2.gz BUMBDFLHCAUAKN-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377959 1075577811 /nfs/dbraw/zinc/57/78/11/1075577811.db2.gz BUMBDFLHCAUAKN-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)C1 ZINC001579377959 1075577809 /nfs/dbraw/zinc/57/78/09/1075577809.db2.gz BUMBDFLHCAUAKN-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579378082 1075578461 /nfs/dbraw/zinc/57/84/61/1075578461.db2.gz YOOVATODMHVDIT-GFCCVEGCSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579378082 1075578458 /nfs/dbraw/zinc/57/84/58/1075578458.db2.gz YOOVATODMHVDIT-GFCCVEGCSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579378083 1075578207 /nfs/dbraw/zinc/57/82/07/1075578207.db2.gz YOOVATODMHVDIT-LBPRGKRZSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001579378083 1075578203 /nfs/dbraw/zinc/57/82/03/1075578203.db2.gz YOOVATODMHVDIT-LBPRGKRZSA-N 1 2 377.409 -1.780 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001579378118 1075578187 /nfs/dbraw/zinc/57/81/87/1075578187.db2.gz CYUAIVROWFPSDO-IJLUTSLNSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001579378118 1075578185 /nfs/dbraw/zinc/57/81/85/1075578185.db2.gz CYUAIVROWFPSDO-IJLUTSLNSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001579378119 1075578501 /nfs/dbraw/zinc/57/85/01/1075578501.db2.gz CYUAIVROWFPSDO-UTUOFQBUSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001579378119 1075578498 /nfs/dbraw/zinc/57/84/98/1075578498.db2.gz CYUAIVROWFPSDO-UTUOFQBUSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378155 1075578316 /nfs/dbraw/zinc/57/83/16/1075578316.db2.gz DTGUOXCYAUONEF-BDJLRTHQSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378155 1075578310 /nfs/dbraw/zinc/57/83/10/1075578310.db2.gz DTGUOXCYAUONEF-BDJLRTHQSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378156 1075578352 /nfs/dbraw/zinc/57/83/52/1075578352.db2.gz DTGUOXCYAUONEF-BZNIZROVSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378156 1075578349 /nfs/dbraw/zinc/57/83/49/1075578349.db2.gz DTGUOXCYAUONEF-BZNIZROVSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378157 1075578445 /nfs/dbraw/zinc/57/84/45/1075578445.db2.gz DTGUOXCYAUONEF-MEDUHNTESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378157 1075578441 /nfs/dbraw/zinc/57/84/41/1075578441.db2.gz DTGUOXCYAUONEF-MEDUHNTESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378158 1075578989 /nfs/dbraw/zinc/57/89/89/1075578989.db2.gz DTGUOXCYAUONEF-ZBEGNZNMSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378158 1075578986 /nfs/dbraw/zinc/57/89/86/1075578986.db2.gz DTGUOXCYAUONEF-ZBEGNZNMSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579378266 1075578720 /nfs/dbraw/zinc/57/87/20/1075578720.db2.gz GGOOFHILZLMACZ-UZGDPCLZSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579378266 1075578716 /nfs/dbraw/zinc/57/87/16/1075578716.db2.gz GGOOFHILZLMACZ-UZGDPCLZSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579378267 1075578757 /nfs/dbraw/zinc/57/87/57/1075578757.db2.gz GGOOFHILZLMACZ-WVWOOGAGSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001579378267 1075578752 /nfs/dbraw/zinc/57/87/52/1075578752.db2.gz GGOOFHILZLMACZ-WVWOOGAGSA-N 1 2 386.416 -1.288 20 0 GAADLO CN1CCO[C@H](C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378294 1075579015 /nfs/dbraw/zinc/57/90/15/1075579015.db2.gz HBIZRTRBRNTYHJ-DOMZBBRYSA-N 1 2 388.432 -1.086 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378294 1075579003 /nfs/dbraw/zinc/57/90/03/1075579003.db2.gz HBIZRTRBRNTYHJ-DOMZBBRYSA-N 1 2 388.432 -1.086 20 0 GAADLO CN1CCO[C@@H](C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378295 1075578899 /nfs/dbraw/zinc/57/88/99/1075578899.db2.gz HBIZRTRBRNTYHJ-IUODEOHRSA-N 1 2 388.432 -1.086 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378295 1075578890 /nfs/dbraw/zinc/57/88/90/1075578890.db2.gz HBIZRTRBRNTYHJ-IUODEOHRSA-N 1 2 388.432 -1.086 20 0 GAADLO CN1CCO[C@@H](C(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378296 1075578788 /nfs/dbraw/zinc/57/87/88/1075578788.db2.gz HBIZRTRBRNTYHJ-SWLSCSKDSA-N 1 2 388.432 -1.086 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378296 1075578781 /nfs/dbraw/zinc/57/87/81/1075578781.db2.gz HBIZRTRBRNTYHJ-SWLSCSKDSA-N 1 2 388.432 -1.086 20 0 GAADLO CN1CCO[C@H](C(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378297 1075578738 /nfs/dbraw/zinc/57/87/38/1075578738.db2.gz HBIZRTRBRNTYHJ-WFASDCNBSA-N 1 2 388.432 -1.086 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CCO2)C1 ZINC001579378297 1075578728 /nfs/dbraw/zinc/57/87/28/1075578728.db2.gz HBIZRTRBRNTYHJ-WFASDCNBSA-N 1 2 388.432 -1.086 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001579378299 1075578963 /nfs/dbraw/zinc/57/89/63/1075578963.db2.gz HCUNHDLPYKXVDQ-FMSGJZPZSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001579378299 1075578960 /nfs/dbraw/zinc/57/89/60/1075578960.db2.gz HCUNHDLPYKXVDQ-FMSGJZPZSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001579378300 1075578825 /nfs/dbraw/zinc/57/88/25/1075578825.db2.gz HCUNHDLPYKXVDQ-NRWUCQMLSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001579378300 1075578820 /nfs/dbraw/zinc/57/88/20/1075578820.db2.gz HCUNHDLPYKXVDQ-NRWUCQMLSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NCCOCCCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579378343 1075579033 /nfs/dbraw/zinc/57/90/33/1075579033.db2.gz IPAWZYDUDYXFMM-CYBMUJFWSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NCCOCCCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579378343 1075579027 /nfs/dbraw/zinc/57/90/27/1075579027.db2.gz IPAWZYDUDYXFMM-CYBMUJFWSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NCCOCCCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579378344 1075579258 /nfs/dbraw/zinc/57/92/58/1075579258.db2.gz IPAWZYDUDYXFMM-ZDUSSCGKSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NCCOCCCNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579378344 1075579251 /nfs/dbraw/zinc/57/92/51/1075579251.db2.gz IPAWZYDUDYXFMM-ZDUSSCGKSA-N 1 2 391.436 -1.078 20 0 GAADLO CN(CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579378437 1075579190 /nfs/dbraw/zinc/57/91/90/1075579190.db2.gz KVYMFLYTQBQNDA-GFCCVEGCSA-N 1 2 391.436 -1.444 20 0 GAADLO CN(CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579378437 1075579185 /nfs/dbraw/zinc/57/91/85/1075579185.db2.gz KVYMFLYTQBQNDA-GFCCVEGCSA-N 1 2 391.436 -1.444 20 0 GAADLO CN(CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579378438 1075579290 /nfs/dbraw/zinc/57/92/90/1075579290.db2.gz KVYMFLYTQBQNDA-LBPRGKRZSA-N 1 2 391.436 -1.444 20 0 GAADLO CN(CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccnc(-c2nn[nH]n2)n1 ZINC001579378438 1075579283 /nfs/dbraw/zinc/57/92/83/1075579283.db2.gz KVYMFLYTQBQNDA-LBPRGKRZSA-N 1 2 391.436 -1.444 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)C1 ZINC001579378561 1075579480 /nfs/dbraw/zinc/57/94/80/1075579480.db2.gz LKLVGFFDSHVKMR-AGIUHOORSA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)C1 ZINC001579378561 1075579476 /nfs/dbraw/zinc/57/94/76/1075579476.db2.gz LKLVGFFDSHVKMR-AGIUHOORSA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)C1 ZINC001579378562 1075579436 /nfs/dbraw/zinc/57/94/36/1075579436.db2.gz LKLVGFFDSHVKMR-FRRDWIJNSA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)C1 ZINC001579378562 1075579434 /nfs/dbraw/zinc/57/94/34/1075579434.db2.gz LKLVGFFDSHVKMR-FRRDWIJNSA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001579378575 1075579492 /nfs/dbraw/zinc/57/94/92/1075579492.db2.gz LTNBLHMJXSOCMY-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001579378575 1075579489 /nfs/dbraw/zinc/57/94/89/1075579489.db2.gz LTNBLHMJXSOCMY-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001579378576 1075579233 /nfs/dbraw/zinc/57/92/33/1075579233.db2.gz LTNBLHMJXSOCMY-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)C1 ZINC001579378576 1075579227 /nfs/dbraw/zinc/57/92/27/1075579227.db2.gz LTNBLHMJXSOCMY-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001579378583 1075579453 /nfs/dbraw/zinc/57/94/53/1075579453.db2.gz MAITWAWFMZNUHC-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001579378583 1075579448 /nfs/dbraw/zinc/57/94/48/1075579448.db2.gz MAITWAWFMZNUHC-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001579378584 1075579172 /nfs/dbraw/zinc/57/91/72/1075579172.db2.gz MAITWAWFMZNUHC-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)C1 ZINC001579378584 1075579170 /nfs/dbraw/zinc/57/91/70/1075579170.db2.gz MAITWAWFMZNUHC-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001579378586 1075579383 /nfs/dbraw/zinc/57/93/83/1075579383.db2.gz MBWDDEIODREGSU-FMSGJZPZSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001579378586 1075579382 /nfs/dbraw/zinc/57/93/82/1075579382.db2.gz MBWDDEIODREGSU-FMSGJZPZSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001579378587 1075579422 /nfs/dbraw/zinc/57/94/22/1075579422.db2.gz MBWDDEIODREGSU-NRWUCQMLSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)C1 ZINC001579378587 1075579418 /nfs/dbraw/zinc/57/94/18/1075579418.db2.gz MBWDDEIODREGSU-NRWUCQMLSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378595 1075579973 /nfs/dbraw/zinc/57/99/73/1075579973.db2.gz MFWNRWHIHHWJMZ-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378595 1075579967 /nfs/dbraw/zinc/57/99/67/1075579967.db2.gz MFWNRWHIHHWJMZ-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378596 1075579933 /nfs/dbraw/zinc/57/99/33/1075579933.db2.gz MFWNRWHIHHWJMZ-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378596 1075579927 /nfs/dbraw/zinc/57/99/27/1075579927.db2.gz MFWNRWHIHHWJMZ-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378597 1075580000 /nfs/dbraw/zinc/58/00/00/1075580000.db2.gz MFWNRWHIHHWJMZ-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378597 1075579995 /nfs/dbraw/zinc/57/99/95/1075579995.db2.gz MFWNRWHIHHWJMZ-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378598 1075579753 /nfs/dbraw/zinc/57/97/53/1075579753.db2.gz MFWNRWHIHHWJMZ-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)C1 ZINC001579378598 1075579751 /nfs/dbraw/zinc/57/97/51/1075579751.db2.gz MFWNRWHIHHWJMZ-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378611 1075579832 /nfs/dbraw/zinc/57/98/32/1075579832.db2.gz MOUDLLUSCZWWDV-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378611 1075579830 /nfs/dbraw/zinc/57/98/30/1075579830.db2.gz MOUDLLUSCZWWDV-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378612 1075579709 /nfs/dbraw/zinc/57/97/09/1075579709.db2.gz MOUDLLUSCZWWDV-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378612 1075579704 /nfs/dbraw/zinc/57/97/04/1075579704.db2.gz MOUDLLUSCZWWDV-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378613 1075579735 /nfs/dbraw/zinc/57/97/35/1075579735.db2.gz MOUDLLUSCZWWDV-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378613 1075579731 /nfs/dbraw/zinc/57/97/31/1075579731.db2.gz MOUDLLUSCZWWDV-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378614 1075579819 /nfs/dbraw/zinc/57/98/19/1075579819.db2.gz MOUDLLUSCZWWDV-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001579378614 1075579817 /nfs/dbraw/zinc/57/98/17/1075579817.db2.gz MOUDLLUSCZWWDV-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378619 1075580027 /nfs/dbraw/zinc/58/00/27/1075580027.db2.gz MTLQWRUEWUXUAO-BLLLJJGKSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378619 1075580021 /nfs/dbraw/zinc/58/00/21/1075580021.db2.gz MTLQWRUEWUXUAO-BLLLJJGKSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378620 1075579876 /nfs/dbraw/zinc/57/98/76/1075579876.db2.gz MTLQWRUEWUXUAO-LRDDRELGSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378620 1075579873 /nfs/dbraw/zinc/57/98/73/1075579873.db2.gz MTLQWRUEWUXUAO-LRDDRELGSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378621 1075579858 /nfs/dbraw/zinc/57/98/58/1075579858.db2.gz MTLQWRUEWUXUAO-MLGOLLRUSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378621 1075579856 /nfs/dbraw/zinc/57/98/56/1075579856.db2.gz MTLQWRUEWUXUAO-MLGOLLRUSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378622 1075579902 /nfs/dbraw/zinc/57/99/02/1075579902.db2.gz MTLQWRUEWUXUAO-WBMJQRKESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001579378622 1075579897 /nfs/dbraw/zinc/57/98/97/1075579897.db2.gz MTLQWRUEWUXUAO-WBMJQRKESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378959 1075580239 /nfs/dbraw/zinc/58/02/39/1075580239.db2.gz PNTHXNQCYTUCAQ-BLLLJJGKSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378959 1075580230 /nfs/dbraw/zinc/58/02/30/1075580230.db2.gz PNTHXNQCYTUCAQ-BLLLJJGKSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378960 1075580380 /nfs/dbraw/zinc/58/03/80/1075580380.db2.gz PNTHXNQCYTUCAQ-LRDDRELGSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378960 1075580377 /nfs/dbraw/zinc/58/03/77/1075580377.db2.gz PNTHXNQCYTUCAQ-LRDDRELGSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378961 1075580535 /nfs/dbraw/zinc/58/05/35/1075580535.db2.gz PNTHXNQCYTUCAQ-MLGOLLRUSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378961 1075580533 /nfs/dbraw/zinc/58/05/33/1075580533.db2.gz PNTHXNQCYTUCAQ-MLGOLLRUSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378965 1075580211 /nfs/dbraw/zinc/58/02/11/1075580211.db2.gz PNTHXNQCYTUCAQ-WBMJQRKESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)C1 ZINC001579378965 1075580207 /nfs/dbraw/zinc/58/02/07/1075580207.db2.gz PNTHXNQCYTUCAQ-WBMJQRKESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379014 1075580523 /nfs/dbraw/zinc/58/05/23/1075580523.db2.gz PYKWHFHMKFBFJU-OUAUKWLOSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379014 1075580522 /nfs/dbraw/zinc/58/05/22/1075580522.db2.gz PYKWHFHMKFBFJU-OUAUKWLOSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379015 1075580745 /nfs/dbraw/zinc/58/07/45/1075580745.db2.gz PYKWHFHMKFBFJU-VWYCJHECSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379015 1075580738 /nfs/dbraw/zinc/58/07/38/1075580738.db2.gz PYKWHFHMKFBFJU-VWYCJHECSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001579379178 1075581029 /nfs/dbraw/zinc/58/10/29/1075581029.db2.gz RDXYIDCQHHAEIN-GRYCIOLGSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001579379178 1075581025 /nfs/dbraw/zinc/58/10/25/1075581025.db2.gz RDXYIDCQHHAEIN-GRYCIOLGSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001579379180 1075580967 /nfs/dbraw/zinc/58/09/67/1075580967.db2.gz RDXYIDCQHHAEIN-WOPDTQHZSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)C1 ZINC001579379180 1075580963 /nfs/dbraw/zinc/58/09/63/1075580963.db2.gz RDXYIDCQHHAEIN-WOPDTQHZSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379182 1075581138 /nfs/dbraw/zinc/58/11/38/1075581138.db2.gz REKXMTAGCWZJSX-BLLLJJGKSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379182 1075581136 /nfs/dbraw/zinc/58/11/36/1075581136.db2.gz REKXMTAGCWZJSX-BLLLJJGKSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379183 1075580893 /nfs/dbraw/zinc/58/08/93/1075580893.db2.gz REKXMTAGCWZJSX-LRDDRELGSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379183 1075580888 /nfs/dbraw/zinc/58/08/88/1075580888.db2.gz REKXMTAGCWZJSX-LRDDRELGSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379185 1075580844 /nfs/dbraw/zinc/58/08/44/1075580844.db2.gz REKXMTAGCWZJSX-MLGOLLRUSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379185 1075580839 /nfs/dbraw/zinc/58/08/39/1075580839.db2.gz REKXMTAGCWZJSX-MLGOLLRUSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379186 1075581091 /nfs/dbraw/zinc/58/10/91/1075581091.db2.gz REKXMTAGCWZJSX-WBMJQRKESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001579379186 1075581090 /nfs/dbraw/zinc/58/10/90/1075581090.db2.gz REKXMTAGCWZJSX-WBMJQRKESA-N 1 2 389.420 -1.955 20 0 GAADLO CN1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379187 1075580769 /nfs/dbraw/zinc/58/07/69/1075580769.db2.gz RFVCTQBYIRKTML-PBHICJAKSA-N 1 2 388.432 -1.350 20 0 GAADLO CN1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379190 1075581009 /nfs/dbraw/zinc/58/10/09/1075581009.db2.gz RFVCTQBYIRKTML-RHSMWYFYSA-N 1 2 388.432 -1.350 20 0 GAADLO CN1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379193 1075581056 /nfs/dbraw/zinc/58/10/56/1075581056.db2.gz RFVCTQBYIRKTML-WMLDXEAASA-N 1 2 388.432 -1.350 20 0 GAADLO CN1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379195 1075580949 /nfs/dbraw/zinc/58/09/49/1075580949.db2.gz RFVCTQBYIRKTML-YOEHRIQHSA-N 1 2 388.432 -1.350 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379298 1075581076 /nfs/dbraw/zinc/58/10/76/1075581076.db2.gz RGIDOPXXCGOXSR-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379298 1075581073 /nfs/dbraw/zinc/58/10/73/1075581073.db2.gz RGIDOPXXCGOXSR-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379301 1075581636 /nfs/dbraw/zinc/58/16/36/1075581636.db2.gz RGIDOPXXCGOXSR-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379301 1075581634 /nfs/dbraw/zinc/58/16/34/1075581634.db2.gz RGIDOPXXCGOXSR-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379303 1075581421 /nfs/dbraw/zinc/58/14/21/1075581421.db2.gz RGIDOPXXCGOXSR-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379303 1075581414 /nfs/dbraw/zinc/58/14/14/1075581414.db2.gz RGIDOPXXCGOXSR-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379306 1075581589 /nfs/dbraw/zinc/58/15/89/1075581589.db2.gz RGIDOPXXCGOXSR-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)C1 ZINC001579379306 1075581587 /nfs/dbraw/zinc/58/15/87/1075581587.db2.gz RGIDOPXXCGOXSR-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001579379328 1075581389 /nfs/dbraw/zinc/58/13/89/1075581389.db2.gz SEUROJDTOCDWNW-GRYCIOLGSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001579379328 1075581384 /nfs/dbraw/zinc/58/13/84/1075581384.db2.gz SEUROJDTOCDWNW-GRYCIOLGSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001579379329 1075581477 /nfs/dbraw/zinc/58/14/77/1075581477.db2.gz SEUROJDTOCDWNW-IJLUTSLNSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001579379329 1075581471 /nfs/dbraw/zinc/58/14/71/1075581471.db2.gz SEUROJDTOCDWNW-IJLUTSLNSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001579379332 1075581576 /nfs/dbraw/zinc/58/15/76/1075581576.db2.gz SEUROJDTOCDWNW-UTUOFQBUSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)C1 ZINC001579379332 1075581572 /nfs/dbraw/zinc/58/15/72/1075581572.db2.gz SEUROJDTOCDWNW-UTUOFQBUSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001579379334 1075581647 /nfs/dbraw/zinc/58/16/47/1075581647.db2.gz SEUROJDTOCDWNW-WOPDTQHZSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)C1 ZINC001579379334 1075581646 /nfs/dbraw/zinc/58/16/46/1075581646.db2.gz SEUROJDTOCDWNW-WOPDTQHZSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001579379577 1075581561 /nfs/dbraw/zinc/58/15/61/1075581561.db2.gz XNUACZCFUDHRLU-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001579379577 1075581557 /nfs/dbraw/zinc/58/15/57/1075581557.db2.gz XNUACZCFUDHRLU-JHJVBQTASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001579379580 1075581451 /nfs/dbraw/zinc/58/14/51/1075581451.db2.gz XNUACZCFUDHRLU-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001579379580 1075581444 /nfs/dbraw/zinc/58/14/44/1075581444.db2.gz XNUACZCFUDHRLU-UPJWGTAASA-N 1 2 390.404 -2.173 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379599 1075581362 /nfs/dbraw/zinc/58/13/62/1075581362.db2.gz XTSFFXFHTNZTME-BDJLRTHQSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379599 1075581357 /nfs/dbraw/zinc/58/13/57/1075581357.db2.gz XTSFFXFHTNZTME-BDJLRTHQSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379602 1075581697 /nfs/dbraw/zinc/58/16/97/1075581697.db2.gz XTSFFXFHTNZTME-BZNIZROVSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379602 1075581694 /nfs/dbraw/zinc/58/16/94/1075581694.db2.gz XTSFFXFHTNZTME-BZNIZROVSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379604 1075581326 /nfs/dbraw/zinc/58/13/26/1075581326.db2.gz XTSFFXFHTNZTME-MEDUHNTESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379604 1075581321 /nfs/dbraw/zinc/58/13/21/1075581321.db2.gz XTSFFXFHTNZTME-MEDUHNTESA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379605 1075581665 /nfs/dbraw/zinc/58/16/65/1075581665.db2.gz XTSFFXFHTNZTME-ZBEGNZNMSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)C1 ZINC001579379605 1075581661 /nfs/dbraw/zinc/58/16/61/1075581661.db2.gz XTSFFXFHTNZTME-ZBEGNZNMSA-N 1 2 389.420 -1.955 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379651 1075581683 /nfs/dbraw/zinc/58/16/83/1075581683.db2.gz YPRDVMBDWSWVHG-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379651 1075581679 /nfs/dbraw/zinc/58/16/79/1075581679.db2.gz YPRDVMBDWSWVHG-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379652 1075581990 /nfs/dbraw/zinc/58/19/90/1075581990.db2.gz YPRDVMBDWSWVHG-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379652 1075581986 /nfs/dbraw/zinc/58/19/86/1075581986.db2.gz YPRDVMBDWSWVHG-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379653 1075582015 /nfs/dbraw/zinc/58/20/15/1075582015.db2.gz YPRDVMBDWSWVHG-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379653 1075582009 /nfs/dbraw/zinc/58/20/09/1075582009.db2.gz YPRDVMBDWSWVHG-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379654 1075581919 /nfs/dbraw/zinc/58/19/19/1075581919.db2.gz YPRDVMBDWSWVHG-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001579379654 1075581917 /nfs/dbraw/zinc/58/19/17/1075581917.db2.gz YPRDVMBDWSWVHG-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379672 1075581964 /nfs/dbraw/zinc/58/19/64/1075581964.db2.gz ZDYWRJKIDDWWJC-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379672 1075581960 /nfs/dbraw/zinc/58/19/60/1075581960.db2.gz ZDYWRJKIDDWWJC-AAEUAGOBSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379673 1075582189 /nfs/dbraw/zinc/58/21/89/1075582189.db2.gz ZDYWRJKIDDWWJC-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379673 1075582184 /nfs/dbraw/zinc/58/21/84/1075582184.db2.gz ZDYWRJKIDDWWJC-DGCLKSJQSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379674 1075582055 /nfs/dbraw/zinc/58/20/55/1075582055.db2.gz ZDYWRJKIDDWWJC-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379674 1075582050 /nfs/dbraw/zinc/58/20/50/1075582050.db2.gz ZDYWRJKIDDWWJC-WCQYABFASA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379675 1075581864 /nfs/dbraw/zinc/58/18/64/1075581864.db2.gz ZDYWRJKIDDWWJC-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001579379675 1075581861 /nfs/dbraw/zinc/58/18/61/1075581861.db2.gz ZDYWRJKIDDWWJC-YPMHNXCESA-N 1 2 389.420 -1.691 20 0 GAADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579382305 1075582470 /nfs/dbraw/zinc/58/24/70/1075582470.db2.gz BXTZBPOWOULFRV-LLVKDONJSA-N 1 2 375.437 -1.323 20 0 GAADLO CNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579382306 1075582525 /nfs/dbraw/zinc/58/25/25/1075582525.db2.gz BXTZBPOWOULFRV-NSHDSACASA-N 1 2 375.437 -1.323 20 0 GAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382308 1075582437 /nfs/dbraw/zinc/58/24/37/1075582437.db2.gz CBTURPPRJBLMBP-HWPZZCPQSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382308 1075582434 /nfs/dbraw/zinc/58/24/34/1075582434.db2.gz CBTURPPRJBLMBP-HWPZZCPQSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382310 1075582381 /nfs/dbraw/zinc/58/23/81/1075582381.db2.gz CBTURPPRJBLMBP-MGPLVRAMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382310 1075582378 /nfs/dbraw/zinc/58/23/78/1075582378.db2.gz CBTURPPRJBLMBP-MGPLVRAMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382312 1075582609 /nfs/dbraw/zinc/58/26/09/1075582609.db2.gz CBTURPPRJBLMBP-QFYYESIMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382312 1075582603 /nfs/dbraw/zinc/58/26/03/1075582603.db2.gz CBTURPPRJBLMBP-QFYYESIMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382314 1075582724 /nfs/dbraw/zinc/58/27/24/1075582724.db2.gz CBTURPPRJBLMBP-QLJPJBMISA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579382314 1075582721 /nfs/dbraw/zinc/58/27/21/1075582721.db2.gz CBTURPPRJBLMBP-QLJPJBMISA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579382316 1075582396 /nfs/dbraw/zinc/58/23/96/1075582396.db2.gz CBZISDJOWYLYHH-LLVKDONJSA-N 1 2 375.437 -1.323 20 0 GAADLO CNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001579382318 1075582701 /nfs/dbraw/zinc/58/27/01/1075582701.db2.gz CBZISDJOWYLYHH-NSHDSACASA-N 1 2 375.437 -1.323 20 0 GAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382525 1075582574 /nfs/dbraw/zinc/58/25/74/1075582574.db2.gz FSLXQKIDEDIEPR-HWPZZCPQSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382525 1075582569 /nfs/dbraw/zinc/58/25/69/1075582569.db2.gz FSLXQKIDEDIEPR-HWPZZCPQSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382527 1075582490 /nfs/dbraw/zinc/58/24/90/1075582490.db2.gz FSLXQKIDEDIEPR-MGPLVRAMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382527 1075582487 /nfs/dbraw/zinc/58/24/87/1075582487.db2.gz FSLXQKIDEDIEPR-MGPLVRAMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382528 1075582669 /nfs/dbraw/zinc/58/26/69/1075582669.db2.gz FSLXQKIDEDIEPR-QFYYESIMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382528 1075582663 /nfs/dbraw/zinc/58/26/63/1075582663.db2.gz FSLXQKIDEDIEPR-QFYYESIMSA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382529 1075582424 /nfs/dbraw/zinc/58/24/24/1075582424.db2.gz FSLXQKIDEDIEPR-QLJPJBMISA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579382529 1075582421 /nfs/dbraw/zinc/58/24/21/1075582421.db2.gz FSLXQKIDEDIEPR-QLJPJBMISA-N 1 2 376.421 -1.114 20 0 GAADLO CNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579382739 1075582688 /nfs/dbraw/zinc/58/26/88/1075582688.db2.gz JCZXAJWVJJVUDS-LLVKDONJSA-N 1 2 375.437 -1.323 20 0 GAADLO CNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001579382740 1075582546 /nfs/dbraw/zinc/58/25/46/1075582546.db2.gz JCZXAJWVJJVUDS-NSHDSACASA-N 1 2 375.437 -1.323 20 0 GAADLO CNC(=O)C[NH+]1CCC(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001579396390 1075585644 /nfs/dbraw/zinc/58/56/44/1075585644.db2.gz COJWAPNFACNSBK-UHFFFAOYSA-N 1 2 377.413 -2.032 20 0 GAADLO CNC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001579396652 1075586249 /nfs/dbraw/zinc/58/62/49/1075586249.db2.gz NMAKSTAJDFCIBS-CYBMUJFWSA-N 1 2 387.448 -1.227 20 0 GAADLO CNC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001579396653 1075586306 /nfs/dbraw/zinc/58/63/06/1075586306.db2.gz NMAKSTAJDFCIBS-ZDUSSCGKSA-N 1 2 387.448 -1.227 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001579397542 1075586707 /nfs/dbraw/zinc/58/67/07/1075586707.db2.gz AWEYYAGXDCPTCD-JOYOIKCWSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001579397542 1075586705 /nfs/dbraw/zinc/58/67/05/1075586705.db2.gz AWEYYAGXDCPTCD-JOYOIKCWSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397587 1075587138 /nfs/dbraw/zinc/58/71/38/1075587138.db2.gz CGMDPHHYOSBLNL-LDYMZIIASA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397587 1075587133 /nfs/dbraw/zinc/58/71/33/1075587133.db2.gz CGMDPHHYOSBLNL-LDYMZIIASA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001579397595 1075587067 /nfs/dbraw/zinc/58/70/67/1075587067.db2.gz CMJAZQRHWKIPNZ-BXKDBHETSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001579397595 1075587064 /nfs/dbraw/zinc/58/70/64/1075587064.db2.gz CMJAZQRHWKIPNZ-BXKDBHETSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397607 1075586979 /nfs/dbraw/zinc/58/69/79/1075586979.db2.gz CUCFZQZWNJGABM-JTQLQIEISA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397607 1075586975 /nfs/dbraw/zinc/58/69/75/1075586975.db2.gz CUCFZQZWNJGABM-JTQLQIEISA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397608 1075586901 /nfs/dbraw/zinc/58/69/01/1075586901.db2.gz CUCFZQZWNJGABM-SNVBAGLBSA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397608 1075586898 /nfs/dbraw/zinc/58/68/98/1075586898.db2.gz CUCFZQZWNJGABM-SNVBAGLBSA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C ZINC001579397615 1075586958 /nfs/dbraw/zinc/58/69/58/1075586958.db2.gz DCOXZKDZUJVIKQ-SCZZXKLOSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C ZINC001579397615 1075586954 /nfs/dbraw/zinc/58/69/54/1075586954.db2.gz DCOXZKDZUJVIKQ-SCZZXKLOSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397624 1075587187 /nfs/dbraw/zinc/58/71/87/1075587187.db2.gz DVTPTSFDKBRNOE-PSASIEDQSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397624 1075587177 /nfs/dbraw/zinc/58/71/77/1075587177.db2.gz DVTPTSFDKBRNOE-PSASIEDQSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397625 1075587000 /nfs/dbraw/zinc/58/70/00/1075587000.db2.gz DVTPTSFDKBRNOE-SCZZXKLOSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397625 1075586995 /nfs/dbraw/zinc/58/69/95/1075586995.db2.gz DVTPTSFDKBRNOE-SCZZXKLOSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397626 1075587108 /nfs/dbraw/zinc/58/71/08/1075587108.db2.gz DVTPTSFDKBRNOE-WCBMZHEXSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397626 1075587100 /nfs/dbraw/zinc/58/71/00/1075587100.db2.gz DVTPTSFDKBRNOE-WCBMZHEXSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397627 1075587279 /nfs/dbraw/zinc/58/72/79/1075587279.db2.gz DVTPTSFDKBRNOE-WPRPVWTQSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397627 1075587273 /nfs/dbraw/zinc/58/72/73/1075587273.db2.gz DVTPTSFDKBRNOE-WPRPVWTQSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397628 1075587041 /nfs/dbraw/zinc/58/70/41/1075587041.db2.gz DWCUHETVWZHSMU-JTQLQIEISA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397628 1075587033 /nfs/dbraw/zinc/58/70/33/1075587033.db2.gz DWCUHETVWZHSMU-JTQLQIEISA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397629 1075587256 /nfs/dbraw/zinc/58/72/56/1075587256.db2.gz DWCUHETVWZHSMU-SNVBAGLBSA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397629 1075587253 /nfs/dbraw/zinc/58/72/53/1075587253.db2.gz DWCUHETVWZHSMU-SNVBAGLBSA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397642 1075587412 /nfs/dbraw/zinc/58/74/12/1075587412.db2.gz DZWKNIASSJSHOU-LDYMZIIASA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397642 1075587408 /nfs/dbraw/zinc/58/74/08/1075587408.db2.gz DZWKNIASSJSHOU-LDYMZIIASA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001579397648 1075587475 /nfs/dbraw/zinc/58/74/75/1075587475.db2.gz FJNFAABIONEJDT-SCZZXKLOSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C ZINC001579397648 1075587470 /nfs/dbraw/zinc/58/74/70/1075587470.db2.gz FJNFAABIONEJDT-SCZZXKLOSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397694 1075587602 /nfs/dbraw/zinc/58/76/02/1075587602.db2.gz GJUCKCBSLVWVJU-LDYMZIIASA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579397694 1075587596 /nfs/dbraw/zinc/58/75/96/1075587596.db2.gz GJUCKCBSLVWVJU-LDYMZIIASA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397717 1075587430 /nfs/dbraw/zinc/58/74/30/1075587430.db2.gz HDYMKQQMLDDMOF-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001579397719 1075587524 /nfs/dbraw/zinc/58/75/24/1075587524.db2.gz HDYMKQQMLDDMOF-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397758 1075587661 /nfs/dbraw/zinc/58/76/61/1075587661.db2.gz HQTNZIQTRJVCSH-MRVPVSSYSA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579397761 1075587633 /nfs/dbraw/zinc/58/76/33/1075587633.db2.gz HQTNZIQTRJVCSH-QMMMGPOBSA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001579398143 1075588826 /nfs/dbraw/zinc/58/88/26/1075588826.db2.gz OYPMUSFFCJXQKA-BXKDBHETSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001579398143 1075588821 /nfs/dbraw/zinc/58/88/21/1075588821.db2.gz OYPMUSFFCJXQKA-BXKDBHETSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579398179 1075588663 /nfs/dbraw/zinc/58/86/63/1075588663.db2.gz QARWWTWEOVUANM-SECBINFHSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579398179 1075588657 /nfs/dbraw/zinc/58/86/57/1075588657.db2.gz QARWWTWEOVUANM-SECBINFHSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579398180 1075588916 /nfs/dbraw/zinc/58/89/16/1075588916.db2.gz QARWWTWEOVUANM-VIFPVBQESA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579398180 1075588914 /nfs/dbraw/zinc/58/89/14/1075588914.db2.gz QARWWTWEOVUANM-VIFPVBQESA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398190 1075589382 /nfs/dbraw/zinc/58/93/82/1075589382.db2.gz QFSKSXYLDXQCOI-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398190 1075589378 /nfs/dbraw/zinc/58/93/78/1075589378.db2.gz QFSKSXYLDXQCOI-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398191 1075589366 /nfs/dbraw/zinc/58/93/66/1075589366.db2.gz QFSKSXYLDXQCOI-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398191 1075589363 /nfs/dbraw/zinc/58/93/63/1075589363.db2.gz QFSKSXYLDXQCOI-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398198 1075589270 /nfs/dbraw/zinc/58/92/70/1075589270.db2.gz QGRDOJOVGKZONT-SECBINFHSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398198 1075589268 /nfs/dbraw/zinc/58/92/68/1075589268.db2.gz QGRDOJOVGKZONT-SECBINFHSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398199 1075589337 /nfs/dbraw/zinc/58/93/37/1075589337.db2.gz QGRDOJOVGKZONT-VIFPVBQESA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398199 1075589335 /nfs/dbraw/zinc/58/93/35/1075589335.db2.gz QGRDOJOVGKZONT-VIFPVBQESA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398365 1075589308 /nfs/dbraw/zinc/58/93/08/1075589308.db2.gz QPKWEZRGXGXABP-BDAKNGLRSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398367 1075589434 /nfs/dbraw/zinc/58/94/34/1075589434.db2.gz QPKWEZRGXGXABP-DTWKUNHWSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398369 1075589351 /nfs/dbraw/zinc/58/93/51/1075589351.db2.gz QPKWEZRGXGXABP-IUCAKERBSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398371 1075589234 /nfs/dbraw/zinc/58/92/34/1075589234.db2.gz QPKWEZRGXGXABP-RKDXNWHRSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001579398404 1075589198 /nfs/dbraw/zinc/58/91/98/1075589198.db2.gz RBKPKFDGFKCLLX-UHFFFAOYSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398445 1075589463 /nfs/dbraw/zinc/58/94/63/1075589463.db2.gz RWTHXNVCYOGJCR-PSASIEDQSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398446 1075589254 /nfs/dbraw/zinc/58/92/54/1075589254.db2.gz RWTHXNVCYOGJCR-SCZZXKLOSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398447 1075589287 /nfs/dbraw/zinc/58/92/87/1075589287.db2.gz RWTHXNVCYOGJCR-WCBMZHEXSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398448 1075589320 /nfs/dbraw/zinc/58/93/20/1075589320.db2.gz RWTHXNVCYOGJCR-WPRPVWTQSA-N 1 2 375.393 -1.157 20 0 GAADLO CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001579398514 1075589810 /nfs/dbraw/zinc/58/98/10/1075589810.db2.gz MCHKINHEKUAUSK-UHFFFAOYSA-N 1 2 385.392 -1.681 20 0 GAADLO CNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001579398525 1075589795 /nfs/dbraw/zinc/58/97/95/1075589795.db2.gz MPOQZXKXFCOWIM-UHFFFAOYSA-N 1 2 385.392 -1.681 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398755 1075589875 /nfs/dbraw/zinc/58/98/75/1075589875.db2.gz VEPVZMOAUKUPFS-HNNXBMFYSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398755 1075589872 /nfs/dbraw/zinc/58/98/72/1075589872.db2.gz VEPVZMOAUKUPFS-HNNXBMFYSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398756 1075589840 /nfs/dbraw/zinc/58/98/40/1075589840.db2.gz VEPVZMOAUKUPFS-OAHLLOKOSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398756 1075589835 /nfs/dbraw/zinc/58/98/35/1075589835.db2.gz VEPVZMOAUKUPFS-OAHLLOKOSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398783 1075590426 /nfs/dbraw/zinc/59/04/26/1075590426.db2.gz WOXSERCPMJGAOY-MRVPVSSYSA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001579398784 1075590456 /nfs/dbraw/zinc/59/04/56/1075590456.db2.gz WOXSERCPMJGAOY-QMMMGPOBSA-N 1 2 375.393 -1.300 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001579398785 1075590370 /nfs/dbraw/zinc/59/03/70/1075590370.db2.gz WQQWOKPARJXOIQ-JOYOIKCWSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001579398785 1075590360 /nfs/dbraw/zinc/59/03/60/1075590360.db2.gz WQQWOKPARJXOIQ-JOYOIKCWSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398802 1075590175 /nfs/dbraw/zinc/59/01/75/1075590175.db2.gz XBKCYJIXKVCKAE-SECBINFHSA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398802 1075590172 /nfs/dbraw/zinc/59/01/72/1075590172.db2.gz XBKCYJIXKVCKAE-SECBINFHSA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398803 1075590197 /nfs/dbraw/zinc/59/01/97/1075590197.db2.gz XBKCYJIXKVCKAE-VIFPVBQESA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001579398803 1075590192 /nfs/dbraw/zinc/59/01/92/1075590192.db2.gz XBKCYJIXKVCKAE-VIFPVBQESA-N 1 2 375.393 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398915 1075590401 /nfs/dbraw/zinc/59/04/01/1075590401.db2.gz YBBSMSQOUNLSOI-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398915 1075590393 /nfs/dbraw/zinc/59/03/93/1075590393.db2.gz YBBSMSQOUNLSOI-JTQLQIEISA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398917 1075590678 /nfs/dbraw/zinc/59/06/78/1075590678.db2.gz YBBSMSQOUNLSOI-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001579398917 1075590670 /nfs/dbraw/zinc/59/06/70/1075590670.db2.gz YBBSMSQOUNLSOI-SNVBAGLBSA-N 1 2 375.393 -1.155 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001579400828 1075591117 /nfs/dbraw/zinc/59/11/17/1075591117.db2.gz HBXJQRLSJYNOAD-FOGDFJRCSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001579400828 1075591114 /nfs/dbraw/zinc/59/11/14/1075591114.db2.gz HBXJQRLSJYNOAD-FOGDFJRCSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001579401383 1075591326 /nfs/dbraw/zinc/59/13/26/1075591326.db2.gz OFYSJYOWIBDGAC-FOGDFJRCSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001579401383 1075591321 /nfs/dbraw/zinc/59/13/21/1075591321.db2.gz OFYSJYOWIBDGAC-FOGDFJRCSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001579401706 1075592148 /nfs/dbraw/zinc/59/21/48/1075592148.db2.gz WSMZPBMXLMESSC-FXAINCCUSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001579401706 1075592143 /nfs/dbraw/zinc/59/21/43/1075592143.db2.gz WSMZPBMXLMESSC-FXAINCCUSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001579401707 1075592086 /nfs/dbraw/zinc/59/20/86/1075592086.db2.gz WSMZPBMXLMESSC-ZHAHWJHGSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 ZINC001579401707 1075592082 /nfs/dbraw/zinc/59/20/82/1075592082.db2.gz WSMZPBMXLMESSC-ZHAHWJHGSA-N 1 2 387.404 -1.015 20 0 GAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579406842 1075597484 /nfs/dbraw/zinc/59/74/84/1075597484.db2.gz DVJOKADBDFBCCK-UHFFFAOYSA-N 1 2 388.432 -1.151 20 0 GAADLO CNC(=O)NCC(=O)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579407595 1075597757 /nfs/dbraw/zinc/59/77/57/1075597757.db2.gz LVXBRZZVQYWXHJ-UHFFFAOYSA-N 1 2 388.432 -1.151 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579413080 1075604926 /nfs/dbraw/zinc/60/49/26/1075604926.db2.gz ACJMVHYSDCIEOP-UHFFFAOYSA-N 1 2 389.424 -2.176 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001579413321 1075604857 /nfs/dbraw/zinc/60/48/57/1075604857.db2.gz HEEOBTUYLUVBMM-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001579413321 1075604855 /nfs/dbraw/zinc/60/48/55/1075604855.db2.gz HEEOBTUYLUVBMM-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001579413322 1075604841 /nfs/dbraw/zinc/60/48/41/1075604841.db2.gz HEEOBTUYLUVBMM-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001579413322 1075604837 /nfs/dbraw/zinc/60/48/37/1075604837.db2.gz HEEOBTUYLUVBMM-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001579413353 1075604943 /nfs/dbraw/zinc/60/49/43/1075604943.db2.gz JQFCFWFLMRXJEA-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001579413353 1075604941 /nfs/dbraw/zinc/60/49/41/1075604941.db2.gz JQFCFWFLMRXJEA-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001579413354 1075604958 /nfs/dbraw/zinc/60/49/58/1075604958.db2.gz JQFCFWFLMRXJEA-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001579413354 1075604955 /nfs/dbraw/zinc/60/49/55/1075604955.db2.gz JQFCFWFLMRXJEA-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579413359 1075605248 /nfs/dbraw/zinc/60/52/48/1075605248.db2.gz JZQKXOMHBGTCBD-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001579413359 1075605247 /nfs/dbraw/zinc/60/52/47/1075605247.db2.gz JZQKXOMHBGTCBD-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001579413420 1075605269 /nfs/dbraw/zinc/60/52/69/1075605269.db2.gz NCGLQVPDKQERDG-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001579413420 1075605268 /nfs/dbraw/zinc/60/52/68/1075605268.db2.gz NCGLQVPDKQERDG-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001579413527 1075605279 /nfs/dbraw/zinc/60/52/79/1075605279.db2.gz NCGLQVPDKQERDG-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001579413527 1075605278 /nfs/dbraw/zinc/60/52/78/1075605278.db2.gz NCGLQVPDKQERDG-OLZOCXBDSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579413551 1075605311 /nfs/dbraw/zinc/60/53/11/1075605311.db2.gz NVOZJUWOETZHLN-UHFFFAOYSA-N 1 2 389.424 -2.176 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579413560 1075605649 /nfs/dbraw/zinc/60/56/49/1075605649.db2.gz OASDZHJXULIHLX-UHFFFAOYSA-N 1 2 389.424 -2.176 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001579413715 1075605615 /nfs/dbraw/zinc/60/56/15/1075605615.db2.gz SOLFIGIFEHYZMS-UHFFFAOYSA-N 1 2 388.436 -1.571 20 0 GAADLO CNC(=O)NCC(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579413850 1075605720 /nfs/dbraw/zinc/60/57/20/1075605720.db2.gz WIVHMPONEGIMBB-UHFFFAOYSA-N 1 2 388.436 -1.571 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001579413854 1075605633 /nfs/dbraw/zinc/60/56/33/1075605633.db2.gz WSBIXIFZSUPNPC-UHFFFAOYSA-N 1 2 389.424 -2.176 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001579413878 1075606044 /nfs/dbraw/zinc/60/60/44/1075606044.db2.gz YEIMGFGFGYBYLX-UHFFFAOYSA-N 1 2 389.424 -2.176 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001579413892 1075606019 /nfs/dbraw/zinc/60/60/19/1075606019.db2.gz YVEFLNWCQLXUSS-NXEZZACHSA-N 1 2 380.434 -1.482 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001579413892 1075606015 /nfs/dbraw/zinc/60/60/15/1075606015.db2.gz YVEFLNWCQLXUSS-NXEZZACHSA-N 1 2 380.434 -1.482 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001579413922 1075606101 /nfs/dbraw/zinc/60/61/01/1075606101.db2.gz YVEFLNWCQLXUSS-ZJUUUORDSA-N 1 2 380.434 -1.482 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001579413922 1075606096 /nfs/dbraw/zinc/60/60/96/1075606096.db2.gz YVEFLNWCQLXUSS-ZJUUUORDSA-N 1 2 380.434 -1.482 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001579413975 1075606072 /nfs/dbraw/zinc/60/60/72/1075606072.db2.gz ZSGCOXZEBUUZQA-UHFFFAOYSA-N 1 2 388.436 -1.571 20 0 GAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579428614 1075626630 /nfs/dbraw/zinc/62/66/30/1075626630.db2.gz RDVFTKMBMDZGPN-UHFFFAOYSA-N 1 2 380.434 -1.779 20 0 GAADLO CNS(=O)(=O)NCC(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579428960 1075627477 /nfs/dbraw/zinc/62/74/77/1075627477.db2.gz XSEVYHWQPRMUSI-UHFFFAOYSA-N 1 2 380.434 -1.779 20 0 GAADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC[N@@H+](C)C1 ZINC001579446844 1075629908 /nfs/dbraw/zinc/62/99/08/1075629908.db2.gz RINPBSQZSYZVOH-LLVKDONJSA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC[N@H+](C)C1 ZINC001579446844 1075629906 /nfs/dbraw/zinc/62/99/06/1075629906.db2.gz RINPBSQZSYZVOH-LLVKDONJSA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC[N@@H+](C)C1 ZINC001579446845 1075629929 /nfs/dbraw/zinc/62/99/29/1075629929.db2.gz RINPBSQZSYZVOH-NSHDSACASA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC[N@H+](C)C1 ZINC001579446845 1075629927 /nfs/dbraw/zinc/62/99/27/1075629927.db2.gz RINPBSQZSYZVOH-NSHDSACASA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001579462323 1075633730 /nfs/dbraw/zinc/63/37/30/1075633730.db2.gz BADASVNKXHLRGS-UHFFFAOYSA-N 1 2 389.420 -1.144 20 0 GAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001579462368 1075633563 /nfs/dbraw/zinc/63/35/63/1075633563.db2.gz CPXTUBONGGCYHB-UHFFFAOYSA-N 1 2 390.408 -1.749 20 0 GAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001579462562 1075634016 /nfs/dbraw/zinc/63/40/16/1075634016.db2.gz KCNHTTFFADICRZ-UHFFFAOYSA-N 1 2 389.420 -1.144 20 0 GAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579462595 1075633923 /nfs/dbraw/zinc/63/39/23/1075633923.db2.gz LFMJMXFYNQFWNB-UHFFFAOYSA-N 1 2 390.408 -1.749 20 0 GAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001579462790 1075634334 /nfs/dbraw/zinc/63/43/34/1075634334.db2.gz OTEQLINCGZMMOO-UHFFFAOYSA-N 1 2 389.420 -1.144 20 0 GAADLO COC(=O)NCC(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579463031 1075634408 /nfs/dbraw/zinc/63/44/08/1075634408.db2.gz QEKUIARQXXPMFC-UHFFFAOYSA-N 1 2 389.420 -1.144 20 0 GAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579463054 1075634527 /nfs/dbraw/zinc/63/45/27/1075634527.db2.gz QFZIWROXQRTHLX-UHFFFAOYSA-N 1 2 390.408 -1.749 20 0 GAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001579464149 1075634925 /nfs/dbraw/zinc/63/49/25/1075634925.db2.gz AXUDSZZKDMLMEF-NXEZZACHSA-N 1 2 381.418 -1.055 20 0 GAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001579464149 1075634921 /nfs/dbraw/zinc/63/49/21/1075634921.db2.gz AXUDSZZKDMLMEF-NXEZZACHSA-N 1 2 381.418 -1.055 20 0 GAADLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001579464150 1075634733 /nfs/dbraw/zinc/63/47/33/1075634733.db2.gz AXUDSZZKDMLMEF-ZJUUUORDSA-N 1 2 381.418 -1.055 20 0 GAADLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001579464150 1075634730 /nfs/dbraw/zinc/63/47/30/1075634730.db2.gz AXUDSZZKDMLMEF-ZJUUUORDSA-N 1 2 381.418 -1.055 20 0 GAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)CO2 ZINC001579699888 1075656775 /nfs/dbraw/zinc/65/67/75/1075656775.db2.gz OAUDKDCMZFWWRT-GHMZBOCLSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)CO2 ZINC001579699889 1075656720 /nfs/dbraw/zinc/65/67/20/1075656720.db2.gz OAUDKDCMZFWWRT-MNOVXSKESA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)CO2 ZINC001579699890 1075656737 /nfs/dbraw/zinc/65/67/37/1075656737.db2.gz OAUDKDCMZFWWRT-QWRGUYRKSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)CO2 ZINC001579699891 1075656642 /nfs/dbraw/zinc/65/66/42/1075656642.db2.gz OAUDKDCMZFWWRT-WDEREUQCSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001579701120 1075657594 /nfs/dbraw/zinc/65/75/94/1075657594.db2.gz VHRZMBXNKYAKQL-NEPJUHHUSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001579701121 1075657558 /nfs/dbraw/zinc/65/75/58/1075657558.db2.gz VHRZMBXNKYAKQL-NWDGAFQWSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001579701123 1075657665 /nfs/dbraw/zinc/65/76/65/1075657665.db2.gz VHRZMBXNKYAKQL-RYUDHWBXSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)CO2 ZINC001579701124 1075657656 /nfs/dbraw/zinc/65/76/56/1075657656.db2.gz VHRZMBXNKYAKQL-VXGBXAGGSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001579701174 1075657529 /nfs/dbraw/zinc/65/75/29/1075657529.db2.gz WNKKFJVTNHMLIU-NEPJUHHUSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001579701175 1075658087 /nfs/dbraw/zinc/65/80/87/1075658087.db2.gz WNKKFJVTNHMLIU-NWDGAFQWSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001579701176 1075658082 /nfs/dbraw/zinc/65/80/82/1075658082.db2.gz WNKKFJVTNHMLIU-RYUDHWBXSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001579701177 1075658066 /nfs/dbraw/zinc/65/80/66/1075658066.db2.gz WNKKFJVTNHMLIU-VXGBXAGGSA-N 1 2 377.405 -1.225 20 0 GAADLO COC[C@@H](OC)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579711721 1075660554 /nfs/dbraw/zinc/66/05/54/1075660554.db2.gz FXJAXVGFRPHEDM-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COC[C@H](OC)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001579711722 1075660580 /nfs/dbraw/zinc/66/05/80/1075660580.db2.gz FXJAXVGFRPHEDM-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COC[C@@H](OC)C(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579713336 1075661354 /nfs/dbraw/zinc/66/13/54/1075661354.db2.gz MHHVVZSXXKHYLQ-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COC[C@H](OC)C(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001579713337 1075661381 /nfs/dbraw/zinc/66/13/81/1075661381.db2.gz MHHVVZSXXKHYLQ-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COC[C@@H](OC)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001579714494 1075662099 /nfs/dbraw/zinc/66/20/99/1075662099.db2.gz XNVMJLDIIJZYTL-GFCCVEGCSA-N 1 2 391.436 -1.444 20 0 GAADLO COC[C@H](OC)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001579714495 1075662192 /nfs/dbraw/zinc/66/21/92/1075662192.db2.gz XNVMJLDIIJZYTL-LBPRGKRZSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCC[N@@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001579787847 1075663521 /nfs/dbraw/zinc/66/35/21/1075663521.db2.gz QELPWLGROBNSAO-UHFFFAOYSA-N 1 2 395.424 -1.604 20 0 GAADLO COCCC[N@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001579787847 1075663516 /nfs/dbraw/zinc/66/35/16/1075663516.db2.gz QELPWLGROBNSAO-UHFFFAOYSA-N 1 2 395.424 -1.604 20 0 GAADLO COCC[N@@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001579790833 1075663291 /nfs/dbraw/zinc/66/32/91/1075663291.db2.gz FNXMNUBJVHJTHF-UHFFFAOYSA-N 1 2 381.397 -1.994 20 0 GAADLO COCC[N@H+](C)CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001579790833 1075663284 /nfs/dbraw/zinc/66/32/84/1075663284.db2.gz FNXMNUBJVHJTHF-UHFFFAOYSA-N 1 2 381.397 -1.994 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579798917 1075665606 /nfs/dbraw/zinc/66/56/06/1075665606.db2.gz CADZDXZUYJWGFH-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579798917 1075665601 /nfs/dbraw/zinc/66/56/01/1075665601.db2.gz CADZDXZUYJWGFH-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579798918 1075666004 /nfs/dbraw/zinc/66/60/04/1075666004.db2.gz CADZDXZUYJWGFH-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cnc(-c2nn[nH]n2)cn1 ZINC001579798918 1075666000 /nfs/dbraw/zinc/66/60/00/1075666000.db2.gz CADZDXZUYJWGFH-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1nccnc1-c1nn[nH]n1 ZINC001579799345 1075666932 /nfs/dbraw/zinc/66/69/32/1075666932.db2.gz NWKHFHJZIJIMAU-GFCCVEGCSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1nccnc1-c1nn[nH]n1 ZINC001579799345 1075666928 /nfs/dbraw/zinc/66/69/28/1075666928.db2.gz NWKHFHJZIJIMAU-GFCCVEGCSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nccnc1-c1nn[nH]n1 ZINC001579799346 1075666864 /nfs/dbraw/zinc/66/68/64/1075666864.db2.gz NWKHFHJZIJIMAU-LBPRGKRZSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1nccnc1-c1nn[nH]n1 ZINC001579799346 1075666860 /nfs/dbraw/zinc/66/68/60/1075666860.db2.gz NWKHFHJZIJIMAU-LBPRGKRZSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579799790 1075667685 /nfs/dbraw/zinc/66/76/85/1075667685.db2.gz ZUQBWZJHHNYUFY-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579799790 1075667681 /nfs/dbraw/zinc/66/76/81/1075667681.db2.gz ZUQBWZJHHNYUFY-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579799791 1075667573 /nfs/dbraw/zinc/66/75/73/1075667573.db2.gz ZUQBWZJHHNYUFY-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(-c2nn[nH]n2)nn1 ZINC001579799791 1075667571 /nfs/dbraw/zinc/66/75/71/1075667571.db2.gz ZUQBWZJHHNYUFY-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COCC[N@H+]1CCCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001579813585 1075670794 /nfs/dbraw/zinc/67/07/94/1075670794.db2.gz FINDFYLGSOHTLG-UHFFFAOYSA-N 1 2 378.393 -1.690 20 0 GAADLO COCC[N@@H+]1CCCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001579813585 1075670790 /nfs/dbraw/zinc/67/07/90/1075670790.db2.gz FINDFYLGSOHTLG-UHFFFAOYSA-N 1 2 378.393 -1.690 20 0 GAADLO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813652 1075670848 /nfs/dbraw/zinc/67/08/48/1075670848.db2.gz HFHBGVDOJVWARW-JTQLQIEISA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813652 1075670846 /nfs/dbraw/zinc/67/08/46/1075670846.db2.gz HFHBGVDOJVWARW-JTQLQIEISA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813653 1075670867 /nfs/dbraw/zinc/67/08/67/1075670867.db2.gz HFHBGVDOJVWARW-SNVBAGLBSA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813653 1075670864 /nfs/dbraw/zinc/67/08/64/1075670864.db2.gz HFHBGVDOJVWARW-SNVBAGLBSA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[N@H+]1CC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813788 1075670755 /nfs/dbraw/zinc/67/07/55/1075670755.db2.gz LPEFQZRPMAUMFZ-JTQLQIEISA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[N@@H+]1CC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813788 1075670750 /nfs/dbraw/zinc/67/07/50/1075670750.db2.gz LPEFQZRPMAUMFZ-JTQLQIEISA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813789 1075670916 /nfs/dbraw/zinc/67/09/16/1075670916.db2.gz LPEFQZRPMAUMFZ-SNVBAGLBSA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579813789 1075670915 /nfs/dbraw/zinc/67/09/15/1075670915.db2.gz LPEFQZRPMAUMFZ-SNVBAGLBSA-N 1 2 378.393 -1.644 20 0 GAADLO COCC[NH+]1CCC(NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001579813948 1075671331 /nfs/dbraw/zinc/67/13/31/1075671331.db2.gz QRFSQRDIHLWBBS-UHFFFAOYSA-N 1 2 392.420 -1.254 20 0 GAADLO COCC[N@H+]1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C(C)(C)C1 ZINC001579813980 1075671227 /nfs/dbraw/zinc/67/12/27/1075671227.db2.gz RSWROEPFSFUYJM-UHFFFAOYSA-N 1 2 392.420 -1.302 20 0 GAADLO COCC[N@@H+]1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C(C)(C)C1 ZINC001579813980 1075671226 /nfs/dbraw/zinc/67/12/26/1075671226.db2.gz RSWROEPFSFUYJM-UHFFFAOYSA-N 1 2 392.420 -1.302 20 0 GAADLO COCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579814085 1075671354 /nfs/dbraw/zinc/67/13/54/1075671354.db2.gz XEYKPIVDTXDQHV-LLVKDONJSA-N 1 2 392.420 -1.254 20 0 GAADLO COCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579814085 1075671350 /nfs/dbraw/zinc/67/13/50/1075671350.db2.gz XEYKPIVDTXDQHV-LLVKDONJSA-N 1 2 392.420 -1.254 20 0 GAADLO COCC[N@H+]1CCC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579814086 1075671189 /nfs/dbraw/zinc/67/11/89/1075671189.db2.gz XEYKPIVDTXDQHV-NSHDSACASA-N 1 2 392.420 -1.254 20 0 GAADLO COCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001579814086 1075671187 /nfs/dbraw/zinc/67/11/87/1075671187.db2.gz XEYKPIVDTXDQHV-NSHDSACASA-N 1 2 392.420 -1.254 20 0 GAADLO COCC[NH+]1CCC(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001579814164 1075671239 /nfs/dbraw/zinc/67/12/39/1075671239.db2.gz YUNLEWRJIUIEGN-UHFFFAOYSA-N 1 2 378.393 -1.644 20 0 GAADLO COCCOCC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001579817060 1075672469 /nfs/dbraw/zinc/67/24/69/1075672469.db2.gz NYUXHLLRFYGMQS-UHFFFAOYSA-N 1 2 391.436 -1.442 20 0 GAADLO COC[C@H](O)CN1CC[NH+](CCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001579822948 1075675132 /nfs/dbraw/zinc/67/51/32/1075675132.db2.gz TWVREIVILSAHTF-CYBMUJFWSA-N 1 2 392.464 -1.060 20 0 GAADLO CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579854135 1075678126 /nfs/dbraw/zinc/67/81/26/1075678126.db2.gz VXTWEWHELHTKMO-VXGBXAGGSA-N 1 2 398.449 -1.827 20 0 GAADLO CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001579854135 1075678123 /nfs/dbraw/zinc/67/81/23/1075678123.db2.gz VXTWEWHELHTKMO-VXGBXAGGSA-N 1 2 398.449 -1.827 20 0 GAADLO CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001579855023 1075678051 /nfs/dbraw/zinc/67/80/51/1075678051.db2.gz PVEAGPHFMMGDNE-GHMZBOCLSA-N 1 2 390.433 -1.070 20 0 GAADLO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001579855023 1075678049 /nfs/dbraw/zinc/67/80/49/1075678049.db2.gz PVEAGPHFMMGDNE-GHMZBOCLSA-N 1 2 390.433 -1.070 20 0 GAADLO CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001579855114 1075678019 /nfs/dbraw/zinc/67/80/19/1075678019.db2.gz UYVKNFGMGDVKGR-GMTAPVOTSA-N 1 2 392.445 -1.075 20 0 GAADLO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001579855114 1075678017 /nfs/dbraw/zinc/67/80/17/1075678017.db2.gz UYVKNFGMGDVKGR-GMTAPVOTSA-N 1 2 392.445 -1.075 20 0 GAADLO CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001579855115 1075678094 /nfs/dbraw/zinc/67/80/94/1075678094.db2.gz UYVKNFGMGDVKGR-HBNTYKKESA-N 1 2 392.445 -1.075 20 0 GAADLO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001579855115 1075678092 /nfs/dbraw/zinc/67/80/92/1075678092.db2.gz UYVKNFGMGDVKGR-HBNTYKKESA-N 1 2 392.445 -1.075 20 0 GAADLO CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001579855142 1075678030 /nfs/dbraw/zinc/67/80/30/1075678030.db2.gz WFGPBOCNNPWVFA-GHMZBOCLSA-N 1 2 390.433 -1.070 20 0 GAADLO CO[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001579855142 1075678028 /nfs/dbraw/zinc/67/80/28/1075678028.db2.gz WFGPBOCNNPWVFA-GHMZBOCLSA-N 1 2 390.433 -1.070 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579855841 1075678540 /nfs/dbraw/zinc/67/85/40/1075678540.db2.gz FLDMNVBQWOPEAE-MCIONIFRSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579855841 1075678537 /nfs/dbraw/zinc/67/85/37/1075678537.db2.gz FLDMNVBQWOPEAE-MCIONIFRSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579855842 1075678504 /nfs/dbraw/zinc/67/85/04/1075678504.db2.gz FLDMNVBQWOPEAE-MGPQQGTHSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579855842 1075678501 /nfs/dbraw/zinc/67/85/01/1075678501.db2.gz FLDMNVBQWOPEAE-MGPQQGTHSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579858453 1075678881 /nfs/dbraw/zinc/67/88/81/1075678881.db2.gz ZHKMLWQMVHYKFF-KFWWJZLASA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579858453 1075678879 /nfs/dbraw/zinc/67/88/79/1075678879.db2.gz ZHKMLWQMVHYKFF-KFWWJZLASA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579858455 1075678766 /nfs/dbraw/zinc/67/87/66/1075678766.db2.gz ZHKMLWQMVHYKFF-RBSFLKMASA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579858455 1075678763 /nfs/dbraw/zinc/67/87/63/1075678763.db2.gz ZHKMLWQMVHYKFF-RBSFLKMASA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001579859354 1075679245 /nfs/dbraw/zinc/67/92/45/1075679245.db2.gz KHALGMLFGWCJKU-CHWSQXEVSA-N 1 2 384.404 -1.047 20 0 GAADLO CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001579860413 1075680028 /nfs/dbraw/zinc/68/00/28/1075680028.db2.gz HEPZCFJATOLFFE-BPLDGKMQSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001579860414 1075680104 /nfs/dbraw/zinc/68/01/04/1075680104.db2.gz HEPZCFJATOLFFE-YUELXQCFSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001579861639 1075680742 /nfs/dbraw/zinc/68/07/42/1075680742.db2.gz AQVLKEQMJQRDAP-MKPLZMMCSA-N 1 2 375.393 -1.362 20 0 GAADLO CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001579861656 1075680847 /nfs/dbraw/zinc/68/08/47/1075680847.db2.gz AYRKHUOYZGNXEL-DGCLKSJQSA-N 1 2 383.372 -1.021 20 0 GAADLO CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001579863634 1075682161 /nfs/dbraw/zinc/68/21/61/1075682161.db2.gz MEHQPUQBKSQWDK-CHWSQXEVSA-N 1 2 384.404 -1.047 20 0 GAADLO CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579863868 1075682516 /nfs/dbraw/zinc/68/25/16/1075682516.db2.gz WRJNSDBAGAJDNN-JHJVBQTASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579863868 1075682515 /nfs/dbraw/zinc/68/25/15/1075682515.db2.gz WRJNSDBAGAJDNN-JHJVBQTASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579863869 1075682558 /nfs/dbraw/zinc/68/25/58/1075682558.db2.gz WRJNSDBAGAJDNN-UPJWGTAASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579863869 1075682557 /nfs/dbraw/zinc/68/25/57/1075682557.db2.gz WRJNSDBAGAJDNN-UPJWGTAASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001579864915 1075682884 /nfs/dbraw/zinc/68/28/84/1075682884.db2.gz GBJZXHGDFCECBD-VXGBXAGGSA-N 1 2 384.404 -1.047 20 0 GAADLO CO[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579865025 1075683177 /nfs/dbraw/zinc/68/31/77/1075683177.db2.gz JGZVZFUHJJCWLS-MCIONIFRSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579865025 1075683174 /nfs/dbraw/zinc/68/31/74/1075683174.db2.gz JGZVZFUHJJCWLS-MCIONIFRSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579865026 1075683269 /nfs/dbraw/zinc/68/32/69/1075683269.db2.gz JGZVZFUHJJCWLS-MGPQQGTHSA-N 1 2 388.432 -1.088 20 0 GAADLO CO[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579865026 1075683265 /nfs/dbraw/zinc/68/32/65/1075683265.db2.gz JGZVZFUHJJCWLS-MGPQQGTHSA-N 1 2 388.432 -1.088 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001579950095 1075687330 /nfs/dbraw/zinc/68/73/30/1075687330.db2.gz BSMOYQLUUXEPIN-DGCLKSJQSA-N 1 2 375.389 -1.324 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC001579950095 1075687327 /nfs/dbraw/zinc/68/73/27/1075687327.db2.gz BSMOYQLUUXEPIN-DGCLKSJQSA-N 1 2 375.389 -1.324 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001579952890 1075687371 /nfs/dbraw/zinc/68/73/71/1075687371.db2.gz YXCMDBVJZUKDIS-OCCSQVGLSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](O)C1 ZINC001579952890 1075687366 /nfs/dbraw/zinc/68/73/66/1075687366.db2.gz YXCMDBVJZUKDIS-OCCSQVGLSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001579956650 1075687670 /nfs/dbraw/zinc/68/76/70/1075687670.db2.gz LFOUTBUFVNXJGL-GFCCVEGCSA-N 1 2 387.404 -1.197 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001579956651 1075687714 /nfs/dbraw/zinc/68/77/14/1075687714.db2.gz LFOUTBUFVNXJGL-LBPRGKRZSA-N 1 2 387.404 -1.197 20 0 GAADLO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2nnc[nH]2)cc1-c1nn[nH]n1 ZINC001580015774 1075689688 /nfs/dbraw/zinc/68/96/88/1075689688.db2.gz ATVBKHMYZRBGLP-LLVKDONJSA-N 1 2 387.404 -1.197 20 0 GAADLO COc1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2nnc[nH]2)cc1-c1nn[nH]n1 ZINC001580015775 1075689655 /nfs/dbraw/zinc/68/96/55/1075689655.db2.gz ATVBKHMYZRBGLP-NSHDSACASA-N 1 2 387.404 -1.197 20 0 GAADLO CS(=O)(=O)CC[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580161836 1075700589 /nfs/dbraw/zinc/70/05/89/1075700589.db2.gz JVQJMOVKGBPRSZ-AWEZNQCLSA-N 1 2 383.434 -1.594 20 0 GAADLO CS(=O)(=O)CC[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580161836 1075700585 /nfs/dbraw/zinc/70/05/85/1075700585.db2.gz JVQJMOVKGBPRSZ-AWEZNQCLSA-N 1 2 383.434 -1.594 20 0 GAADLO CS(=O)(=O)CC[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580161837 1075700547 /nfs/dbraw/zinc/70/05/47/1075700547.db2.gz JVQJMOVKGBPRSZ-CQSZACIVSA-N 1 2 383.434 -1.594 20 0 GAADLO CS(=O)(=O)CC[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580161837 1075700542 /nfs/dbraw/zinc/70/05/42/1075700542.db2.gz JVQJMOVKGBPRSZ-CQSZACIVSA-N 1 2 383.434 -1.594 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001580167466 1075703193 /nfs/dbraw/zinc/70/31/93/1075703193.db2.gz COYZZWPFUBLDCW-UHFFFAOYSA-N 1 2 382.450 -1.108 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001580167466 1075703192 /nfs/dbraw/zinc/70/31/92/1075703192.db2.gz COYZZWPFUBLDCW-UHFFFAOYSA-N 1 2 382.450 -1.108 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001580167574 1075704158 /nfs/dbraw/zinc/70/41/58/1075704158.db2.gz JCBHIIWYAKJFAM-UHFFFAOYSA-N 1 2 382.450 -1.108 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001580167574 1075704152 /nfs/dbraw/zinc/70/41/52/1075704152.db2.gz JCBHIIWYAKJFAM-UHFFFAOYSA-N 1 2 382.450 -1.108 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580167594 1075704265 /nfs/dbraw/zinc/70/42/65/1075704265.db2.gz JYUDNHDRRKZZPJ-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580167594 1075704259 /nfs/dbraw/zinc/70/42/59/1075704259.db2.gz JYUDNHDRRKZZPJ-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580167615 1075704493 /nfs/dbraw/zinc/70/44/93/1075704493.db2.gz LCXZNSIFMSJWLA-JTQLQIEISA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580167615 1075704492 /nfs/dbraw/zinc/70/44/92/1075704492.db2.gz LCXZNSIFMSJWLA-JTQLQIEISA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580167616 1075704678 /nfs/dbraw/zinc/70/46/78/1075704678.db2.gz LCXZNSIFMSJWLA-SNVBAGLBSA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580167616 1075704672 /nfs/dbraw/zinc/70/46/72/1075704672.db2.gz LCXZNSIFMSJWLA-SNVBAGLBSA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001580167736 1075705045 /nfs/dbraw/zinc/70/50/45/1075705045.db2.gz QCOLPOZGUSFXNC-ZWNOBZJWSA-N 1 2 394.461 -1.110 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001580167736 1075705038 /nfs/dbraw/zinc/70/50/38/1075705038.db2.gz QCOLPOZGUSFXNC-ZWNOBZJWSA-N 1 2 394.461 -1.110 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167895 1075705574 /nfs/dbraw/zinc/70/55/74/1075705574.db2.gz ZKITVNJFHUXXLS-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167895 1075705566 /nfs/dbraw/zinc/70/55/66/1075705566.db2.gz ZKITVNJFHUXXLS-LLVKDONJSA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167896 1075705683 /nfs/dbraw/zinc/70/56/83/1075705683.db2.gz ZKITVNJFHUXXLS-NSHDSACASA-N 1 2 382.450 -1.062 20 0 GAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580167896 1075705678 /nfs/dbraw/zinc/70/56/78/1075705678.db2.gz ZKITVNJFHUXXLS-NSHDSACASA-N 1 2 382.450 -1.062 20 0 GAADLO CS[C@@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@H]1[NH+](C)C ZINC001580205409 1075706028 /nfs/dbraw/zinc/70/60/28/1075706028.db2.gz QRJREVMPXWYDRJ-NXEZZACHSA-N 1 2 380.434 -1.367 20 0 GAADLO CS[C@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@@H]1[NH+](C)C ZINC001580205411 1075705916 /nfs/dbraw/zinc/70/59/16/1075705916.db2.gz QRJREVMPXWYDRJ-UWVGGRQHSA-N 1 2 380.434 -1.367 20 0 GAADLO CS[C@@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@@H]1[NH+](C)C ZINC001580205412 1075706115 /nfs/dbraw/zinc/70/61/15/1075706115.db2.gz QRJREVMPXWYDRJ-VHSXEESVSA-N 1 2 380.434 -1.367 20 0 GAADLO CS[C@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@H]1[NH+](C)C ZINC001580205413 1075706141 /nfs/dbraw/zinc/70/61/41/1075706141.db2.gz QRJREVMPXWYDRJ-ZJUUUORDSA-N 1 2 380.434 -1.367 20 0 GAADLO CSc1[nH]c(=O)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1-c1nn[nH]n1 ZINC001580230964 1075706162 /nfs/dbraw/zinc/70/61/62/1075706162.db2.gz JNHJYLGIHULCPA-AWEZNQCLSA-N 1 2 381.418 -1.230 20 0 GAADLO CSc1[nH]c(=O)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1-c1nn[nH]n1 ZINC001580230965 1075706185 /nfs/dbraw/zinc/70/61/85/1075706185.db2.gz JNHJYLGIHULCPA-CQSZACIVSA-N 1 2 381.418 -1.230 20 0 GAADLO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001580292257 1075707720 /nfs/dbraw/zinc/70/77/20/1075707720.db2.gz RVDSHFHMOJGDJW-JTQLQIEISA-N 1 2 385.388 -1.460 20 0 GAADLO C[C@H](NC(N)=O)C(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001580439526 1075719009 /nfs/dbraw/zinc/71/90/09/1075719009.db2.gz VWWSRFFUZSNAFQ-NSHDSACASA-N 1 2 388.432 -1.024 20 0 GAADLO C[C@H](NC(N)=O)C(=O)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001580439543 1075718950 /nfs/dbraw/zinc/71/89/50/1075718950.db2.gz WIRKAMZQUSUWEY-NSHDSACASA-N 1 2 388.432 -1.024 20 0 GAADLO C[C@H](NC(N)=O)C(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001580440283 1075719461 /nfs/dbraw/zinc/71/94/61/1075719461.db2.gz BNEZOLGVKGEPBK-NSHDSACASA-N 1 2 388.436 -1.443 20 0 GAADLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001580440419 1075719435 /nfs/dbraw/zinc/71/94/35/1075719435.db2.gz HAYQTPRYZNEKHX-NSHDSACASA-N 1 2 388.436 -1.443 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001580440440 1075719478 /nfs/dbraw/zinc/71/94/78/1075719478.db2.gz HOVTZFDSWITNHY-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001580440440 1075719474 /nfs/dbraw/zinc/71/94/74/1075719474.db2.gz HOVTZFDSWITNHY-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001580440441 1075719409 /nfs/dbraw/zinc/71/94/09/1075719409.db2.gz HOVTZFDSWITNHY-ZEGGKSINSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001580440441 1075719405 /nfs/dbraw/zinc/71/94/05/1075719405.db2.gz HOVTZFDSWITNHY-ZEGGKSINSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001580440606 1075719783 /nfs/dbraw/zinc/71/97/83/1075719783.db2.gz NAEGWACZJSCQGU-NSHDSACASA-N 1 2 388.436 -1.443 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001580440653 1075719828 /nfs/dbraw/zinc/71/98/28/1075719828.db2.gz ORJAQCPXSLZZGY-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001580440653 1075719825 /nfs/dbraw/zinc/71/98/25/1075719825.db2.gz ORJAQCPXSLZZGY-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001580440654 1075719845 /nfs/dbraw/zinc/71/98/45/1075719845.db2.gz ORJAQCPXSLZZGY-ZEGGKSINSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001580440654 1075719842 /nfs/dbraw/zinc/71/98/42/1075719842.db2.gz ORJAQCPXSLZZGY-ZEGGKSINSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001580440786 1075719965 /nfs/dbraw/zinc/71/99/65/1075719965.db2.gz VDEYCLNUYAPLJI-FXBDTBDDSA-N 1 2 380.434 -1.354 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001580440786 1075719959 /nfs/dbraw/zinc/71/99/59/1075719959.db2.gz VDEYCLNUYAPLJI-FXBDTBDDSA-N 1 2 380.434 -1.354 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001580440787 1075719873 /nfs/dbraw/zinc/71/98/73/1075719873.db2.gz VDEYCLNUYAPLJI-SFGNSQDASA-N 1 2 380.434 -1.354 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001580440787 1075719868 /nfs/dbraw/zinc/71/98/68/1075719868.db2.gz VDEYCLNUYAPLJI-SFGNSQDASA-N 1 2 380.434 -1.354 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001580440837 1075720367 /nfs/dbraw/zinc/72/03/67/1075720367.db2.gz WNBOOXJJHGTTQZ-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001580440837 1075720364 /nfs/dbraw/zinc/72/03/64/1075720364.db2.gz WNBOOXJJHGTTQZ-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001580440838 1075720326 /nfs/dbraw/zinc/72/03/26/1075720326.db2.gz WNBOOXJJHGTTQZ-ZEGGKSINSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001580440838 1075720322 /nfs/dbraw/zinc/72/03/22/1075720322.db2.gz WNBOOXJJHGTTQZ-ZEGGKSINSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001580440862 1075720429 /nfs/dbraw/zinc/72/04/29/1075720429.db2.gz XFDQGDZBBOXJBY-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001580440862 1075720425 /nfs/dbraw/zinc/72/04/25/1075720425.db2.gz XFDQGDZBBOXJBY-CKLFPEKLSA-N 1 2 392.395 -1.276 20 0 GAADLO C[C@H](NC(N)=O)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001580440890 1075720287 /nfs/dbraw/zinc/72/02/87/1075720287.db2.gz YEQVKQMVGZBORA-NSHDSACASA-N 1 2 388.436 -1.443 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001580498327 1075721157 /nfs/dbraw/zinc/72/11/57/1075721157.db2.gz AJAHQGMFXFFBFI-OLZOCXBDSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580498820 1075721370 /nfs/dbraw/zinc/72/13/70/1075721370.db2.gz PBCJOHWZOSXZKV-UHFFFAOYSA-N 1 2 385.388 -1.228 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580498826 1075721098 /nfs/dbraw/zinc/72/10/98/1075721098.db2.gz PLSGGHKQELNJFJ-UHFFFAOYSA-N 1 2 385.388 -1.228 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001580498846 1075721132 /nfs/dbraw/zinc/72/11/32/1075721132.db2.gz PVGOYLWMVVPXNC-CHWSQXEVSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001580498847 1075721244 /nfs/dbraw/zinc/72/12/44/1075721244.db2.gz PVGOYLWMVVPXNC-OLZOCXBDSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580498874 1075721224 /nfs/dbraw/zinc/72/12/24/1075721224.db2.gz QUUYVLWFADXNKA-UHFFFAOYSA-N 1 2 385.388 -1.228 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580499043 1075721289 /nfs/dbraw/zinc/72/12/89/1075721289.db2.gz WQKXTEFUMVXPNA-CHWSQXEVSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001580499044 1075721353 /nfs/dbraw/zinc/72/13/53/1075721353.db2.gz WQKXTEFUMVXPNA-OLZOCXBDSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001580499545 1075721340 /nfs/dbraw/zinc/72/13/40/1075721340.db2.gz NJSVOCGPXRMZLX-CHWSQXEVSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001580499546 1075721260 /nfs/dbraw/zinc/72/12/60/1075721260.db2.gz NJSVOCGPXRMZLX-OLZOCXBDSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001580499889 1075721081 /nfs/dbraw/zinc/72/10/81/1075721081.db2.gz UZWFOFIGWQXIFV-CHWSQXEVSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001580499890 1075721328 /nfs/dbraw/zinc/72/13/28/1075721328.db2.gz UZWFOFIGWQXIFV-OLZOCXBDSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001580500005 1075721197 /nfs/dbraw/zinc/72/11/97/1075721197.db2.gz ZXHMZYRGMKMRSI-CHWSQXEVSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001580500006 1075721393 /nfs/dbraw/zinc/72/13/93/1075721393.db2.gz ZXHMZYRGMKMRSI-OLZOCXBDSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001580500438 1075721120 /nfs/dbraw/zinc/72/11/20/1075721120.db2.gz DKXSNIZVHJAVCO-UHFFFAOYSA-N 1 2 385.388 -1.228 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001580501200 1075721669 /nfs/dbraw/zinc/72/16/69/1075721669.db2.gz KFBZMJIPVZOGRD-INIZCTEOSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001580501203 1075721685 /nfs/dbraw/zinc/72/16/85/1075721685.db2.gz KFBZMJIPVZOGRD-MRXNPFEDSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001580501664 1075721641 /nfs/dbraw/zinc/72/16/41/1075721641.db2.gz LXPZQWHRFMGAAY-INIZCTEOSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001580501665 1075721656 /nfs/dbraw/zinc/72/16/56/1075721656.db2.gz LXPZQWHRFMGAAY-MRXNPFEDSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001580502104 1075721723 /nfs/dbraw/zinc/72/17/23/1075721723.db2.gz PZOXYWGBNUVSDP-UHFFFAOYSA-N 1 2 385.388 -1.228 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001580502623 1075721576 /nfs/dbraw/zinc/72/15/76/1075721576.db2.gz XKROUFLISGIISV-GWCFXTLKSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001580502629 1075722275 /nfs/dbraw/zinc/72/22/75/1075722275.db2.gz XKROUFLISGIISV-GXFFZTMASA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001580502638 1075722133 /nfs/dbraw/zinc/72/21/33/1075722133.db2.gz XKROUFLISGIISV-MFKMUULPSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001580502646 1075721979 /nfs/dbraw/zinc/72/19/79/1075721979.db2.gz XKROUFLISGIISV-ZWNOBZJWSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001580502815 1075722207 /nfs/dbraw/zinc/72/22/07/1075722207.db2.gz ZDIMPUCDSNAKPP-GWCFXTLKSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001580502816 1075722050 /nfs/dbraw/zinc/72/20/50/1075722050.db2.gz ZDIMPUCDSNAKPP-GXFFZTMASA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001580502817 1075722239 /nfs/dbraw/zinc/72/22/39/1075722239.db2.gz ZDIMPUCDSNAKPP-MFKMUULPSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001580502818 1075722328 /nfs/dbraw/zinc/72/23/28/1075722328.db2.gz ZDIMPUCDSNAKPP-ZWNOBZJWSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001580659433 1075728974 /nfs/dbraw/zinc/72/89/74/1075728974.db2.gz FFQDQIIRWODOSC-AAEUAGOBSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)n1 ZINC001580659434 1075729093 /nfs/dbraw/zinc/72/90/93/1075729093.db2.gz FFQDQIIRWODOSC-DGCLKSJQSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)n1 ZINC001580659435 1075729069 /nfs/dbraw/zinc/72/90/69/1075729069.db2.gz FFQDQIIRWODOSC-WCQYABFASA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001580659436 1075728994 /nfs/dbraw/zinc/72/89/94/1075728994.db2.gz FFQDQIIRWODOSC-YPMHNXCESA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001580662167 1075729905 /nfs/dbraw/zinc/72/99/05/1075729905.db2.gz KQIOYMRKSIJWRL-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001580662168 1075729729 /nfs/dbraw/zinc/72/97/29/1075729729.db2.gz KQIOYMRKSIJWRL-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001580677550 1075731528 /nfs/dbraw/zinc/73/15/28/1075731528.db2.gz FWUZNZCSIXRFQV-CHWSQXEVSA-N 1 2 384.404 -1.393 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001580677673 1075732003 /nfs/dbraw/zinc/73/20/03/1075732003.db2.gz LTMFKIKVDIWILK-CHWSQXEVSA-N 1 2 384.404 -1.164 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001580677864 1075732307 /nfs/dbraw/zinc/73/23/07/1075732307.db2.gz UTVOYCULYSXPTJ-JHJVBQTASA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001580677864 1075732303 /nfs/dbraw/zinc/73/23/03/1075732303.db2.gz UTVOYCULYSXPTJ-JHJVBQTASA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001580677865 1075732400 /nfs/dbraw/zinc/73/24/00/1075732400.db2.gz UTVOYCULYSXPTJ-UPJWGTAASA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001580677865 1075732396 /nfs/dbraw/zinc/73/23/96/1075732396.db2.gz UTVOYCULYSXPTJ-UPJWGTAASA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001580677987 1075732219 /nfs/dbraw/zinc/73/22/19/1075732219.db2.gz XUYQMWROMDFFNO-CHWSQXEVSA-N 1 2 384.404 -1.164 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001580681389 1075733078 /nfs/dbraw/zinc/73/30/78/1075733078.db2.gz FWUZNZCSIXRFQV-OLZOCXBDSA-N 1 2 384.404 -1.393 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001580681429 1075733037 /nfs/dbraw/zinc/73/30/37/1075733037.db2.gz IKCOJYNYKPLTPR-OLZOCXBDSA-N 1 2 384.404 -1.095 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001580681512 1075733431 /nfs/dbraw/zinc/73/34/31/1075733431.db2.gz LTMFKIKVDIWILK-OLZOCXBDSA-N 1 2 384.404 -1.164 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001580681594 1075733514 /nfs/dbraw/zinc/73/35/14/1075733514.db2.gz PCLGXPOOTFEKTF-OLZOCXBDSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001580681772 1075733932 /nfs/dbraw/zinc/73/39/32/1075733932.db2.gz UTVOYCULYSXPTJ-AGIUHOORSA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001580681772 1075733930 /nfs/dbraw/zinc/73/39/30/1075733930.db2.gz UTVOYCULYSXPTJ-AGIUHOORSA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001580681773 1075733892 /nfs/dbraw/zinc/73/38/92/1075733892.db2.gz UTVOYCULYSXPTJ-FRRDWIJNSA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001580681773 1075733891 /nfs/dbraw/zinc/73/38/91/1075733891.db2.gz UTVOYCULYSXPTJ-FRRDWIJNSA-N 1 2 389.420 -2.039 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)CCc3[nH+]ccn3C)[C@@H](O)C2)n1 ZINC001580681850 1075733845 /nfs/dbraw/zinc/73/38/45/1075733845.db2.gz XWBSFOASPFXVGC-OLZOCXBDSA-N 1 2 398.431 -1.003 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001580682735 1075733970 /nfs/dbraw/zinc/73/39/70/1075733970.db2.gz ADIPFOXAHSRCPZ-UZGDPCLZSA-N 1 2 385.432 -1.153 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001580682735 1075733965 /nfs/dbraw/zinc/73/39/65/1075733965.db2.gz ADIPFOXAHSRCPZ-UZGDPCLZSA-N 1 2 385.432 -1.153 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001580682736 1075733869 /nfs/dbraw/zinc/73/38/69/1075733869.db2.gz ADIPFOXAHSRCPZ-WVWOOGAGSA-N 1 2 385.432 -1.153 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001580682736 1075733865 /nfs/dbraw/zinc/73/38/65/1075733865.db2.gz ADIPFOXAHSRCPZ-WVWOOGAGSA-N 1 2 385.432 -1.153 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001580700059 1075735460 /nfs/dbraw/zinc/73/54/60/1075735460.db2.gz OIFMQBBLOBDTBN-GFCCVEGCSA-N 1 2 391.436 -1.424 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)CC[NH+]2CCOCC2)n1 ZINC001580700060 1075735388 /nfs/dbraw/zinc/73/53/88/1075735388.db2.gz OIFMQBBLOBDTBN-LBPRGKRZSA-N 1 2 391.436 -1.424 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001580700333 1075735671 /nfs/dbraw/zinc/73/56/71/1075735671.db2.gz URQZAVBVKIQAES-CMPLNLGQSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001580700333 1075735668 /nfs/dbraw/zinc/73/56/68/1075735668.db2.gz URQZAVBVKIQAES-CMPLNLGQSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001580700334 1075735683 /nfs/dbraw/zinc/73/56/83/1075735683.db2.gz URQZAVBVKIQAES-JQWIXIFHSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001580700334 1075735681 /nfs/dbraw/zinc/73/56/81/1075735681.db2.gz URQZAVBVKIQAES-JQWIXIFHSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001580700335 1075735701 /nfs/dbraw/zinc/73/57/01/1075735701.db2.gz URQZAVBVKIQAES-PWSUYJOCSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001580700335 1075735698 /nfs/dbraw/zinc/73/56/98/1075735698.db2.gz URQZAVBVKIQAES-PWSUYJOCSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001580700336 1075735793 /nfs/dbraw/zinc/73/57/93/1075735793.db2.gz URQZAVBVKIQAES-ZYHUDNBSSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001580700336 1075735789 /nfs/dbraw/zinc/73/57/89/1075735789.db2.gz URQZAVBVKIQAES-ZYHUDNBSSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001580725363 1075736291 /nfs/dbraw/zinc/73/62/91/1075736291.db2.gz BFGSTMDBQSMDBN-CMPLNLGQSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001580725363 1075736289 /nfs/dbraw/zinc/73/62/89/1075736289.db2.gz BFGSTMDBQSMDBN-CMPLNLGQSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001580725364 1075736218 /nfs/dbraw/zinc/73/62/18/1075736218.db2.gz BFGSTMDBQSMDBN-JQWIXIFHSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001580725364 1075736212 /nfs/dbraw/zinc/73/62/12/1075736212.db2.gz BFGSTMDBQSMDBN-JQWIXIFHSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001580725365 1075736062 /nfs/dbraw/zinc/73/60/62/1075736062.db2.gz BFGSTMDBQSMDBN-PWSUYJOCSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001580725365 1075736056 /nfs/dbraw/zinc/73/60/56/1075736056.db2.gz BFGSTMDBQSMDBN-PWSUYJOCSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001580725366 1075736279 /nfs/dbraw/zinc/73/62/79/1075736279.db2.gz BFGSTMDBQSMDBN-ZYHUDNBSSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001580725366 1075736277 /nfs/dbraw/zinc/73/62/77/1075736277.db2.gz BFGSTMDBQSMDBN-ZYHUDNBSSA-N 1 2 377.409 -1.815 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001580726695 1075736943 /nfs/dbraw/zinc/73/69/43/1075736943.db2.gz WBVUNBYWZYFHFZ-AAEUAGOBSA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001580726695 1075736940 /nfs/dbraw/zinc/73/69/40/1075736940.db2.gz WBVUNBYWZYFHFZ-AAEUAGOBSA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001580726696 1075736958 /nfs/dbraw/zinc/73/69/58/1075736958.db2.gz WBVUNBYWZYFHFZ-DGCLKSJQSA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001580726696 1075736955 /nfs/dbraw/zinc/73/69/55/1075736955.db2.gz WBVUNBYWZYFHFZ-DGCLKSJQSA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001580726697 1075737020 /nfs/dbraw/zinc/73/70/20/1075737020.db2.gz WBVUNBYWZYFHFZ-WCQYABFASA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001580726697 1075737018 /nfs/dbraw/zinc/73/70/18/1075737018.db2.gz WBVUNBYWZYFHFZ-WCQYABFASA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001580726698 1075736981 /nfs/dbraw/zinc/73/69/81/1075736981.db2.gz WBVUNBYWZYFHFZ-YPMHNXCESA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001580726698 1075736978 /nfs/dbraw/zinc/73/69/78/1075736978.db2.gz WBVUNBYWZYFHFZ-YPMHNXCESA-N 1 2 391.436 -1.473 20 0 GAADLO Cc1cc(N2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958807 1075742717 /nfs/dbraw/zinc/74/27/17/1075742717.db2.gz LHXKEADSERMGDV-AAEUAGOBSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1cc(N2CC[C@@H](NC(=O)Cc3nnc[nH]3)[C@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958808 1075742698 /nfs/dbraw/zinc/74/26/98/1075742698.db2.gz LHXKEADSERMGDV-DGCLKSJQSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1cc(N2CC[C@H](NC(=O)Cc3nnc[nH]3)[C@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958809 1075742737 /nfs/dbraw/zinc/74/27/37/1075742737.db2.gz LHXKEADSERMGDV-WCQYABFASA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1cc(N2CC[C@@H](NC(=O)Cc3nnc[nH]3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958810 1075742630 /nfs/dbraw/zinc/74/26/30/1075742630.db2.gz LHXKEADSERMGDV-YPMHNXCESA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1cc(N2CC[C@](O)(CNC(=O)Cc3nnc[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960039 1075742690 /nfs/dbraw/zinc/74/26/90/1075742690.db2.gz AVZDPHWMMQNPKE-INIZCTEOSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1cc(N2CC[C@@](O)(CNC(=O)Cc3nnc[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580960040 1075742778 /nfs/dbraw/zinc/74/27/78/1075742778.db2.gz AVZDPHWMMQNPKE-MRXNPFEDSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C3=NC(=O)N(C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974033 1075743949 /nfs/dbraw/zinc/74/39/49/1075743949.db2.gz IPOQBJPBUWIDSR-ZWNOBZJWSA-N 1 2 385.388 -1.011 20 0 GAADLO Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CCc3nc[nH]n3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974071 1075743990 /nfs/dbraw/zinc/74/39/90/1075743990.db2.gz KOAQVHIELBUGCD-DGCLKSJQSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nc(CC(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001580974137 1075744211 /nfs/dbraw/zinc/74/42/11/1075744211.db2.gz NTSIXPBMCLPDQK-DGCLKSJQSA-N 1 2 384.404 -1.095 20 0 GAADLO Cc1cc(N2C[C@@H](NC(=O)C3=NC(=O)N(C)C3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580976430 1075744427 /nfs/dbraw/zinc/74/44/27/1075744427.db2.gz IPOQBJPBUWIDSR-MFKMUULPSA-N 1 2 385.388 -1.011 20 0 GAADLO Cc1cc(N2C[C@@H](NC(=O)CCc3cnn[nH]3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580976486 1075744406 /nfs/dbraw/zinc/74/44/06/1075744406.db2.gz LNTQYDBLFRCJEX-OCCSQVGLSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nc(CC(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001580976525 1075744479 /nfs/dbraw/zinc/74/44/79/1075744479.db2.gz NTSIXPBMCLPDQK-YPMHNXCESA-N 1 2 384.404 -1.095 20 0 GAADLO CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001581009822 1075746940 /nfs/dbraw/zinc/74/69/40/1075746940.db2.gz WFZCGTZLJBNLOG-KBXIAJHMSA-N 1 2 382.461 -1.438 20 0 GAADLO Cc1cc(NC[C@@H](O)CN(C)C(=O)CCc2nc[nH]n2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015252 1075748119 /nfs/dbraw/zinc/74/81/19/1075748119.db2.gz QJQWCBGQQXSSFR-LLVKDONJSA-N 1 2 386.420 -1.026 20 0 GAADLO Cc1cc(NC[C@H](O)CN(C)C(=O)CCc2nc[nH]n2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015253 1075748025 /nfs/dbraw/zinc/74/80/25/1075748025.db2.gz QJQWCBGQQXSSFR-NSHDSACASA-N 1 2 386.420 -1.026 20 0 GAADLO Cc1cc(NC[C@H](O)CN(C)C(=O)C2=NC(=O)N(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016104 1075749003 /nfs/dbraw/zinc/74/90/03/1075749003.db2.gz YGPNZMYOKGPHJC-JTQLQIEISA-N 1 2 387.404 -1.024 20 0 GAADLO Cc1cc(NC[C@@H](O)CN(C)C(=O)C2=NC(=O)N(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016105 1075748985 /nfs/dbraw/zinc/74/89/85/1075748985.db2.gz YGPNZMYOKGPHJC-SNVBAGLBSA-N 1 2 387.404 -1.024 20 0 GAADLO Cc1cc(NCCN(CCO)C(=O)C2=NC(=O)N(C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028614 1075750551 /nfs/dbraw/zinc/75/05/51/1075750551.db2.gz GRSKAKSIHSNCNW-UHFFFAOYSA-N 1 2 387.404 -1.022 20 0 GAADLO Cc1cc(NCCN(CCO)C(=O)CCc2cnn[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028965 1075750816 /nfs/dbraw/zinc/75/08/16/1075750816.db2.gz PLACROBVBUAVEX-UHFFFAOYSA-N 1 2 386.420 -1.024 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001581083640 1075753601 /nfs/dbraw/zinc/75/36/01/1075753601.db2.gz TXOVJGALSDEWHP-MCIONIFRSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001581083640 1075753599 /nfs/dbraw/zinc/75/35/99/1075753599.db2.gz TXOVJGALSDEWHP-MCIONIFRSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001581083641 1075753710 /nfs/dbraw/zinc/75/37/10/1075753710.db2.gz TXOVJGALSDEWHP-MGPQQGTHSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001581083641 1075753704 /nfs/dbraw/zinc/75/37/04/1075753704.db2.gz TXOVJGALSDEWHP-MGPQQGTHSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581338052 1075759431 /nfs/dbraw/zinc/75/94/31/1075759431.db2.gz TWBBXCUZFBNTTN-GFCCVEGCSA-N 1 2 384.404 -1.077 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581338053 1075759590 /nfs/dbraw/zinc/75/95/90/1075759590.db2.gz TWBBXCUZFBNTTN-LBPRGKRZSA-N 1 2 384.404 -1.077 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001581338098 1075759674 /nfs/dbraw/zinc/75/96/74/1075759674.db2.gz BZSPMAYCRLSGSN-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001581338099 1075759498 /nfs/dbraw/zinc/75/94/98/1075759498.db2.gz BZSPMAYCRLSGSN-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581338124 1075759466 /nfs/dbraw/zinc/75/94/66/1075759466.db2.gz DCWCYEDESGZJSU-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581338125 1075759491 /nfs/dbraw/zinc/75/94/91/1075759491.db2.gz DCWCYEDESGZJSU-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581338802 1075759475 /nfs/dbraw/zinc/75/94/75/1075759475.db2.gz UMXPKOPODCMEQI-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581338803 1075759450 /nfs/dbraw/zinc/75/94/50/1075759450.db2.gz UMXPKOPODCMEQI-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581339198 1075759437 /nfs/dbraw/zinc/75/94/37/1075759437.db2.gz BUZQLTSVABJVHO-NEPJUHHUSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581339202 1075759648 /nfs/dbraw/zinc/75/96/48/1075759648.db2.gz BUZQLTSVABJVHO-NWDGAFQWSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581339207 1075759521 /nfs/dbraw/zinc/75/95/21/1075759521.db2.gz BUZQLTSVABJVHO-RYUDHWBXSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581339211 1075760049 /nfs/dbraw/zinc/76/00/49/1075760049.db2.gz BUZQLTSVABJVHO-VXGBXAGGSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581339427 1075760005 /nfs/dbraw/zinc/76/00/05/1075760005.db2.gz GSSDRCBJESTWLQ-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581339428 1075760018 /nfs/dbraw/zinc/76/00/18/1075760018.db2.gz GSSDRCBJESTWLQ-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581339617 1075760058 /nfs/dbraw/zinc/76/00/58/1075760058.db2.gz JGLODECQGSJTRD-NEPJUHHUSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581339618 1075759932 /nfs/dbraw/zinc/75/99/32/1075759932.db2.gz JGLODECQGSJTRD-NWDGAFQWSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581339619 1075760032 /nfs/dbraw/zinc/76/00/32/1075760032.db2.gz JGLODECQGSJTRD-RYUDHWBXSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581339620 1075759903 /nfs/dbraw/zinc/75/99/03/1075759903.db2.gz JGLODECQGSJTRD-VXGBXAGGSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581340646 1075760077 /nfs/dbraw/zinc/76/00/77/1075760077.db2.gz SKKBMDHOZSVNDR-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581340647 1075760096 /nfs/dbraw/zinc/76/00/96/1075760096.db2.gz SKKBMDHOZSVNDR-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001581341001 1075759947 /nfs/dbraw/zinc/75/99/47/1075759947.db2.gz YJIVQTZGJNWOFX-AAEUAGOBSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001581341002 1075759984 /nfs/dbraw/zinc/75/99/84/1075759984.db2.gz YJIVQTZGJNWOFX-DGCLKSJQSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001581341003 1075760107 /nfs/dbraw/zinc/76/01/07/1075760107.db2.gz YJIVQTZGJNWOFX-WCQYABFASA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001581341004 1075759966 /nfs/dbraw/zinc/75/99/66/1075759966.db2.gz YJIVQTZGJNWOFX-YPMHNXCESA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)n[nH]1 ZINC001581398551 1075762861 /nfs/dbraw/zinc/76/28/61/1075762861.db2.gz UJTNWIYKVYFWNJ-INIZCTEOSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1nnc(CC(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001581398551 1075762859 /nfs/dbraw/zinc/76/28/59/1075762859.db2.gz UJTNWIYKVYFWNJ-INIZCTEOSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1nc(CC(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)n[nH]1 ZINC001581398553 1075762877 /nfs/dbraw/zinc/76/28/77/1075762877.db2.gz UJTNWIYKVYFWNJ-MRXNPFEDSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1nnc(CC(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)[nH]1 ZINC001581398553 1075762871 /nfs/dbraw/zinc/76/28/71/1075762871.db2.gz UJTNWIYKVYFWNJ-MRXNPFEDSA-N 1 2 384.404 -1.012 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](O)[C@@H](CO)C3)CC2)o1 ZINC001581410981 1075763746 /nfs/dbraw/zinc/76/37/46/1075763746.db2.gz GBDKVKAOIOCRQN-NEPJUHHUSA-N 1 2 392.420 -1.903 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@@H](O)[C@H](CO)C3)CC2)o1 ZINC001581410982 1075763674 /nfs/dbraw/zinc/76/36/74/1075763674.db2.gz GBDKVKAOIOCRQN-NWDGAFQWSA-N 1 2 392.420 -1.903 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](O)[C@H](CO)C3)CC2)o1 ZINC001581410983 1075763771 /nfs/dbraw/zinc/76/37/71/1075763771.db2.gz GBDKVKAOIOCRQN-RYUDHWBXSA-N 1 2 392.420 -1.903 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](CO)[C@H](O)C3)CC2)o1 ZINC001581410984 1075763731 /nfs/dbraw/zinc/76/37/31/1075763731.db2.gz GBDKVKAOIOCRQN-VXGBXAGGSA-N 1 2 392.420 -1.903 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C(N)=O)CC2)o1 ZINC001581411016 1075763707 /nfs/dbraw/zinc/76/37/07/1075763707.db2.gz HRYPCKNJOPMOAH-LLVKDONJSA-N 1 2 389.420 -1.239 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@@H](O)C3)CC2)o1 ZINC001581411140 1075763970 /nfs/dbraw/zinc/76/39/70/1075763970.db2.gz MXGVRZGZLFUEBF-NEPJUHHUSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)CC2)o1 ZINC001581411140 1075763966 /nfs/dbraw/zinc/76/39/66/1075763966.db2.gz MXGVRZGZLFUEBF-NEPJUHHUSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ccc1-c1nn[nH]n1 ZINC001581482046 1075766048 /nfs/dbraw/zinc/76/60/48/1075766048.db2.gz IREHQJBNQFIQML-MCIONIFRSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ccc1-c1nn[nH]n1 ZINC001581482046 1075766044 /nfs/dbraw/zinc/76/60/44/1075766044.db2.gz IREHQJBNQFIQML-MCIONIFRSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ccc1-c1nn[nH]n1 ZINC001581482047 1075766076 /nfs/dbraw/zinc/76/60/76/1075766076.db2.gz IREHQJBNQFIQML-MGPQQGTHSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ccc1-c1nn[nH]n1 ZINC001581482047 1075766073 /nfs/dbraw/zinc/76/60/73/1075766073.db2.gz IREHQJBNQFIQML-MGPQQGTHSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581483599 1075766802 /nfs/dbraw/zinc/76/68/02/1075766802.db2.gz IREHQJBNQFIQML-HZSPNIEDSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581483599 1075766799 /nfs/dbraw/zinc/76/67/99/1075766799.db2.gz IREHQJBNQFIQML-HZSPNIEDSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581483600 1075766766 /nfs/dbraw/zinc/76/67/66/1075766766.db2.gz IREHQJBNQFIQML-RDBSUJKOSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)ccc1-c1nn[nH]n1 ZINC001581483600 1075766763 /nfs/dbraw/zinc/76/67/63/1075766763.db2.gz IREHQJBNQFIQML-RDBSUJKOSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001581562884 1075769616 /nfs/dbraw/zinc/76/96/16/1075769616.db2.gz FOJHJVVYHNPWFD-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001581562887 1075769368 /nfs/dbraw/zinc/76/93/68/1075769368.db2.gz FOJHJVVYHNPWFD-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581562943 1075769538 /nfs/dbraw/zinc/76/95/38/1075769538.db2.gz HGQNOUSJZGQGQX-AAEUAGOBSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581562945 1075769431 /nfs/dbraw/zinc/76/94/31/1075769431.db2.gz HGQNOUSJZGQGQX-DGCLKSJQSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581562946 1075769521 /nfs/dbraw/zinc/76/95/21/1075769521.db2.gz HGQNOUSJZGQGQX-WCQYABFASA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581562947 1075769610 /nfs/dbraw/zinc/76/96/10/1075769610.db2.gz HGQNOUSJZGQGQX-YPMHNXCESA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581562961 1075769565 /nfs/dbraw/zinc/76/95/65/1075769565.db2.gz HSPUDBLAWNVIAN-NEPJUHHUSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581562962 1075769598 /nfs/dbraw/zinc/76/95/98/1075769598.db2.gz HSPUDBLAWNVIAN-NWDGAFQWSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581562964 1075769506 /nfs/dbraw/zinc/76/95/06/1075769506.db2.gz HSPUDBLAWNVIAN-RYUDHWBXSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581562965 1075769332 /nfs/dbraw/zinc/76/93/32/1075769332.db2.gz HSPUDBLAWNVIAN-VXGBXAGGSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001581563334 1075769411 /nfs/dbraw/zinc/76/94/11/1075769411.db2.gz LCOKPZDFOWNEDW-AAEUAGOBSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001581563335 1075769451 /nfs/dbraw/zinc/76/94/51/1075769451.db2.gz LCOKPZDFOWNEDW-DGCLKSJQSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001581563336 1075769320 /nfs/dbraw/zinc/76/93/20/1075769320.db2.gz LCOKPZDFOWNEDW-WCQYABFASA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001581563337 1075769354 /nfs/dbraw/zinc/76/93/54/1075769354.db2.gz LCOKPZDFOWNEDW-YPMHNXCESA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581563512 1075769489 /nfs/dbraw/zinc/76/94/89/1075769489.db2.gz OOTNKBJZHQQCCB-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581563513 1075769788 /nfs/dbraw/zinc/76/97/88/1075769788.db2.gz OOTNKBJZHQQCCB-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581563608 1075769734 /nfs/dbraw/zinc/76/97/34/1075769734.db2.gz JWXFXCRGRNOXGO-GFCCVEGCSA-N 1 2 384.404 -1.077 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581563609 1075769817 /nfs/dbraw/zinc/76/98/17/1075769817.db2.gz JWXFXCRGRNOXGO-LBPRGKRZSA-N 1 2 384.404 -1.077 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581564129 1075769970 /nfs/dbraw/zinc/76/99/70/1075769970.db2.gz WEYSCMUTHKTUAM-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581564130 1075769917 /nfs/dbraw/zinc/76/99/17/1075769917.db2.gz WEYSCMUTHKTUAM-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581564297 1075769753 /nfs/dbraw/zinc/76/97/53/1075769753.db2.gz XXYBHRBOTNXVMI-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001581564298 1075769903 /nfs/dbraw/zinc/76/99/03/1075769903.db2.gz XXYBHRBOTNXVMI-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CCCC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581567010 1075770040 /nfs/dbraw/zinc/77/00/40/1075770040.db2.gz NNQCKBKYYPUMSF-GFCCVEGCSA-N 1 2 386.420 -1.047 20 0 GAADLO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001581567011 1075770017 /nfs/dbraw/zinc/77/00/17/1075770017.db2.gz NNQCKBKYYPUMSF-LBPRGKRZSA-N 1 2 386.420 -1.047 20 0 GAADLO Cc1[nH+]ccn1CCCC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581567794 1075770259 /nfs/dbraw/zinc/77/02/59/1075770259.db2.gz ZTBFKZJQUONEJA-GFCCVEGCSA-N 1 2 386.420 -1.047 20 0 GAADLO Cc1[nH+]ccn1CCCC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001581567795 1075770361 /nfs/dbraw/zinc/77/03/61/1075770361.db2.gz ZTBFKZJQUONEJA-LBPRGKRZSA-N 1 2 386.420 -1.047 20 0 GAADLO Cc1nsc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696177 1075778985 /nfs/dbraw/zinc/77/89/85/1075778985.db2.gz GYQPQAKVJWOJFP-NXEZZACHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696177 1075778982 /nfs/dbraw/zinc/77/89/82/1075778982.db2.gz GYQPQAKVJWOJFP-NXEZZACHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696178 1075778966 /nfs/dbraw/zinc/77/89/66/1075778966.db2.gz GYQPQAKVJWOJFP-UWVGGRQHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696178 1075778962 /nfs/dbraw/zinc/77/89/62/1075778962.db2.gz GYQPQAKVJWOJFP-UWVGGRQHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696179 1075779004 /nfs/dbraw/zinc/77/90/04/1075779004.db2.gz GYQPQAKVJWOJFP-VHSXEESVSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696179 1075779002 /nfs/dbraw/zinc/77/90/02/1075779002.db2.gz GYQPQAKVJWOJFP-VHSXEESVSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696180 1075778813 /nfs/dbraw/zinc/77/88/13/1075778813.db2.gz GYQPQAKVJWOJFP-ZJUUUORDSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581696180 1075778808 /nfs/dbraw/zinc/77/88/08/1075778808.db2.gz GYQPQAKVJWOJFP-ZJUUUORDSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710488 1075779588 /nfs/dbraw/zinc/77/95/88/1075779588.db2.gz XTOVSLAJMPPAHF-NXEZZACHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710488 1075779586 /nfs/dbraw/zinc/77/95/86/1075779586.db2.gz XTOVSLAJMPPAHF-NXEZZACHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710489 1075779605 /nfs/dbraw/zinc/77/96/05/1075779605.db2.gz XTOVSLAJMPPAHF-UWVGGRQHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710489 1075779602 /nfs/dbraw/zinc/77/96/02/1075779602.db2.gz XTOVSLAJMPPAHF-UWVGGRQHSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710490 1075779662 /nfs/dbraw/zinc/77/96/62/1075779662.db2.gz XTOVSLAJMPPAHF-VHSXEESVSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710490 1075779657 /nfs/dbraw/zinc/77/96/57/1075779657.db2.gz XTOVSLAJMPPAHF-VHSXEESVSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710491 1075779642 /nfs/dbraw/zinc/77/96/42/1075779642.db2.gz XTOVSLAJMPPAHF-ZJUUUORDSA-N 1 2 382.450 -1.149 20 0 GAADLO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1-c1nn[nH]n1 ZINC001581710491 1075779639 /nfs/dbraw/zinc/77/96/39/1075779639.db2.gz XTOVSLAJMPPAHF-ZJUUUORDSA-N 1 2 382.450 -1.149 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(-c2nn[nH]n2)c1=O ZINC001581746891 1075780424 /nfs/dbraw/zinc/78/04/24/1075780424.db2.gz QAIKGIBMGRKCTN-JTQLQIEISA-N 1 2 389.420 -1.828 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(-c2nn[nH]n2)c1=O ZINC001581746891 1075780418 /nfs/dbraw/zinc/78/04/18/1075780418.db2.gz QAIKGIBMGRKCTN-JTQLQIEISA-N 1 2 389.420 -1.828 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(-c2nn[nH]n2)c1=O ZINC001581746892 1075780447 /nfs/dbraw/zinc/78/04/47/1075780447.db2.gz QAIKGIBMGRKCTN-SNVBAGLBSA-N 1 2 389.420 -1.828 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(-c2nn[nH]n2)c1=O ZINC001581746892 1075780443 /nfs/dbraw/zinc/78/04/43/1075780443.db2.gz QAIKGIBMGRKCTN-SNVBAGLBSA-N 1 2 389.420 -1.828 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC(CO)([NH2+]CC3CC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001581747063 1075780404 /nfs/dbraw/zinc/78/04/04/1075780404.db2.gz WFCIYEXOMVUBHT-UHFFFAOYSA-N 1 2 376.421 -1.415 20 0 GAADLO Cn1c(=O)[nH]c(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c(-c2nn[nH]n2)c1=O ZINC001581747842 1075780876 /nfs/dbraw/zinc/78/08/76/1075780876.db2.gz YTTBPPUHARLBOH-BJOHPYRUSA-N 1 2 378.393 -1.696 20 0 GAADLO Cn1c(=O)[nH]c(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c(-c2nn[nH]n2)c1=O ZINC001581747842 1075780872 /nfs/dbraw/zinc/78/08/72/1075780872.db2.gz YTTBPPUHARLBOH-BJOHPYRUSA-N 1 2 378.393 -1.696 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001581748331 1075781151 /nfs/dbraw/zinc/78/11/51/1075781151.db2.gz XUVZFCDXZINQMU-UHFFFAOYSA-N 1 2 389.420 -2.002 20 0 GAADLO Cn1cc(C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)nn1 ZINC001581762024 1075788117 /nfs/dbraw/zinc/78/81/17/1075788117.db2.gz CWFAVQDDNOJRRX-UHFFFAOYSA-N 1 2 384.408 -1.663 20 0 GAADLO Cn1cc(C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001581762038 1075788167 /nfs/dbraw/zinc/78/81/67/1075788167.db2.gz DNSKQFRNBYBOAR-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cc(C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)cn1 ZINC001581762337 1075788146 /nfs/dbraw/zinc/78/81/46/1075788146.db2.gz UQXAOKHKWGOGGK-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cc(C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)nn1 ZINC001581762340 1075788138 /nfs/dbraw/zinc/78/81/38/1075788138.db2.gz UUEVJUPAPBQSCS-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cc(C(=O)NCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)nn1 ZINC001581762345 1075788187 /nfs/dbraw/zinc/78/81/87/1075788187.db2.gz VSBJDRFGABGWFQ-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cc(CN2CC[NH+](CCNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nn1 ZINC001581772876 1075792037 /nfs/dbraw/zinc/79/20/37/1075792037.db2.gz KXRJGASQTQKWOR-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1cc(CN2CC[NH+](CCNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)nn1 ZINC001581772897 1075791961 /nfs/dbraw/zinc/79/19/61/1075791961.db2.gz LNTWHALFIWUQKX-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1cc(CN2CC[NH+](CCNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)nn1 ZINC001581772943 1075792001 /nfs/dbraw/zinc/79/20/01/1075792001.db2.gz MRJABDRGKCSLLI-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1ccc(C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)n1 ZINC001581785512 1075793577 /nfs/dbraw/zinc/79/35/77/1075793577.db2.gz QYTPJMQCODZZER-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797351 1075795828 /nfs/dbraw/zinc/79/58/28/1075795828.db2.gz AAGZQICQOOMOPN-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797352 1075796303 /nfs/dbraw/zinc/79/63/03/1075796303.db2.gz AAGZQICQOOMOPN-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581797430 1075796137 /nfs/dbraw/zinc/79/61/37/1075796137.db2.gz CCXLEPBFYQAAKY-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581797431 1075796338 /nfs/dbraw/zinc/79/63/38/1075796338.db2.gz CCXLEPBFYQAAKY-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581797500 1075796158 /nfs/dbraw/zinc/79/61/58/1075796158.db2.gz FHMQJHAOZDTXSM-JTQLQIEISA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581797501 1075796247 /nfs/dbraw/zinc/79/62/47/1075796247.db2.gz FHMQJHAOZDTXSM-SNVBAGLBSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581797562 1075796231 /nfs/dbraw/zinc/79/62/31/1075796231.db2.gz HNKJAOLCADOUAL-CHWSQXEVSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797564 1075796438 /nfs/dbraw/zinc/79/64/38/1075796438.db2.gz HQJMVSVKQUCDFQ-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797565 1075796180 /nfs/dbraw/zinc/79/61/80/1075796180.db2.gz HQJMVSVKQUCDFQ-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797569 1075796401 /nfs/dbraw/zinc/79/64/01/1075796401.db2.gz HUYAEOXNHPCUAZ-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581797570 1075796199 /nfs/dbraw/zinc/79/61/99/1075796199.db2.gz HUYAEOXNHPCUAZ-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581797694 1075796390 /nfs/dbraw/zinc/79/63/90/1075796390.db2.gz LWDUQWGBYPFNRF-JTQLQIEISA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581797695 1075796263 /nfs/dbraw/zinc/79/62/63/1075796263.db2.gz LWDUQWGBYPFNRF-SNVBAGLBSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581797920 1075796274 /nfs/dbraw/zinc/79/62/74/1075796274.db2.gz SKBBBSIPJZGLJJ-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581797921 1075796320 /nfs/dbraw/zinc/79/63/20/1075796320.db2.gz SKBBBSIPJZGLJJ-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581797987 1075796363 /nfs/dbraw/zinc/79/63/63/1075796363.db2.gz VOXXLNJRJLAJGB-JTQLQIEISA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581797988 1075796424 /nfs/dbraw/zinc/79/64/24/1075796424.db2.gz VOXXLNJRJLAJGB-SNVBAGLBSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581798837 1075796691 /nfs/dbraw/zinc/79/66/91/1075796691.db2.gz ADKMKFCNAKPKDW-NEPJUHHUSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581798838 1075796678 /nfs/dbraw/zinc/79/66/78/1075796678.db2.gz ADKMKFCNAKPKDW-VXGBXAGGSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001581798863 1075796880 /nfs/dbraw/zinc/79/68/80/1075796880.db2.gz BCPANEDAWKILFA-NEPJUHHUSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001581798864 1075796784 /nfs/dbraw/zinc/79/67/84/1075796784.db2.gz BCPANEDAWKILFA-VXGBXAGGSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581799170 1075796897 /nfs/dbraw/zinc/79/68/97/1075796897.db2.gz GTRXBTDLHMQTTN-GHMZBOCLSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581799171 1075796853 /nfs/dbraw/zinc/79/68/53/1075796853.db2.gz GTRXBTDLHMQTTN-MNOVXSKESA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001581799823 1075796640 /nfs/dbraw/zinc/79/66/40/1075796640.db2.gz ULLMOMJOQMCZJF-NEPJUHHUSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001581799824 1075796810 /nfs/dbraw/zinc/79/68/10/1075796810.db2.gz ULLMOMJOQMCZJF-VXGBXAGGSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cnc(C(=O)NCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC001581806248 1075800588 /nfs/dbraw/zinc/80/05/88/1075800588.db2.gz BEGUMFCMCHMHFN-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cnc(C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)c1 ZINC001581806555 1075800522 /nfs/dbraw/zinc/80/05/22/1075800522.db2.gz FZBKZSNKDXTJFB-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cnc(C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)n1 ZINC001581807229 1075801154 /nfs/dbraw/zinc/80/11/54/1075801154.db2.gz OPASYRGNSVYXDG-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cncc1C(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001581810679 1075802101 /nfs/dbraw/zinc/80/21/01/1075802101.db2.gz OLYKPXZABAOCNO-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1cncc1C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001581810740 1075802292 /nfs/dbraw/zinc/80/22/92/1075802292.db2.gz QUHVLUUGALIWEX-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581814321 1075802790 /nfs/dbraw/zinc/80/27/90/1075802790.db2.gz HTRVGJPOYDPWNG-UHFFFAOYSA-N 1 2 385.388 -1.526 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581814430 1075802730 /nfs/dbraw/zinc/80/27/30/1075802730.db2.gz MXSFICAJPYNTSH-UHFFFAOYSA-N 1 2 387.404 -1.278 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581814474 1075802543 /nfs/dbraw/zinc/80/25/43/1075802543.db2.gz OPSCLIYFPZFWGF-UHFFFAOYSA-N 1 2 387.404 -1.278 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581814704 1075802572 /nfs/dbraw/zinc/80/25/72/1075802572.db2.gz ZHUQVJSOBCENIL-UHFFFAOYSA-N 1 2 385.388 -1.526 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581814762 1075802531 /nfs/dbraw/zinc/80/25/31/1075802531.db2.gz CIKIACPBJAWXGI-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581814763 1075802522 /nfs/dbraw/zinc/80/25/22/1075802522.db2.gz CIKIACPBJAWXGI-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581814776 1075803268 /nfs/dbraw/zinc/80/32/68/1075803268.db2.gz CWQTXMJMZRARMD-UHFFFAOYSA-N 1 2 387.404 -1.278 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581814777 1075803143 /nfs/dbraw/zinc/80/31/43/1075803143.db2.gz CXGLKWGADSNYIK-ZIAGYGMSSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581814780 1075802961 /nfs/dbraw/zinc/80/29/61/1075802961.db2.gz DGJFRYAVTIDHHS-UHFFFAOYSA-N 1 2 387.404 -1.278 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581814887 1075803055 /nfs/dbraw/zinc/80/30/55/1075803055.db2.gz JOHKHYUBTMVYDC-UHFFFAOYSA-N 1 2 387.404 -1.278 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581814908 1075802907 /nfs/dbraw/zinc/80/29/07/1075802907.db2.gz KXXOLGRITIQHQV-JTQLQIEISA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581814909 1075802932 /nfs/dbraw/zinc/80/29/32/1075802932.db2.gz KXXOLGRITIQHQV-SNVBAGLBSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581814972 1075803249 /nfs/dbraw/zinc/80/32/49/1075803249.db2.gz MUBHFEGRNHVBHT-JTQLQIEISA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001581814973 1075803232 /nfs/dbraw/zinc/80/32/32/1075803232.db2.gz MUBHFEGRNHVBHT-SNVBAGLBSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581814991 1075803157 /nfs/dbraw/zinc/80/31/57/1075803157.db2.gz NGCHMFDNIVUWDJ-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581814992 1075803095 /nfs/dbraw/zinc/80/30/95/1075803095.db2.gz NGCHMFDNIVUWDJ-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581815080 1075803215 /nfs/dbraw/zinc/80/32/15/1075803215.db2.gz QUUVUINKHSNUND-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581815081 1075803042 /nfs/dbraw/zinc/80/30/42/1075803042.db2.gz QUUVUINKHSNUND-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001581815095 1075802992 /nfs/dbraw/zinc/80/29/92/1075802992.db2.gz RSYZQXMZHRCWDE-CHWSQXEVSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001581815096 1075803015 /nfs/dbraw/zinc/80/30/15/1075803015.db2.gz RSYZQXMZHRCWDE-OLZOCXBDSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001581815168 1075803189 /nfs/dbraw/zinc/80/31/89/1075803189.db2.gz VSJFENUOZNAAHR-CHWSQXEVSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581815251 1075803028 /nfs/dbraw/zinc/80/30/28/1075803028.db2.gz ZWHSGRIGGTYJEY-LLVKDONJSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581815252 1075803071 /nfs/dbraw/zinc/80/30/71/1075803071.db2.gz ZWHSGRIGGTYJEY-NSHDSACASA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581815283 1075803084 /nfs/dbraw/zinc/80/30/84/1075803084.db2.gz AVUJZXBSCVETGZ-INIZCTEOSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001581815284 1075803125 /nfs/dbraw/zinc/80/31/25/1075803125.db2.gz AVUJZXBSCVETGZ-MRXNPFEDSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 ZINC001581815292 1075803695 /nfs/dbraw/zinc/80/36/95/1075803695.db2.gz BARJXDWALWNXBB-GFCCVEGCSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 ZINC001581815293 1075803484 /nfs/dbraw/zinc/80/34/84/1075803484.db2.gz BARJXDWALWNXBB-LBPRGKRZSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581815334 1075803447 /nfs/dbraw/zinc/80/34/47/1075803447.db2.gz CUXVWBKEHKSWED-INIZCTEOSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 ZINC001581815335 1075803545 /nfs/dbraw/zinc/80/35/45/1075803545.db2.gz CUXVWBKEHKSWED-MRXNPFEDSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 ZINC001581815391 1075803682 /nfs/dbraw/zinc/80/36/82/1075803682.db2.gz FEFCBBXINDFQLQ-GFCCVEGCSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 ZINC001581815392 1075803648 /nfs/dbraw/zinc/80/36/48/1075803648.db2.gz FEFCBBXINDFQLQ-LBPRGKRZSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001581815644 1075803710 /nfs/dbraw/zinc/80/37/10/1075803710.db2.gz KBDOSWRJWBCZCG-AAEUAGOBSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001581815645 1075803501 /nfs/dbraw/zinc/80/35/01/1075803501.db2.gz KBDOSWRJWBCZCG-DGCLKSJQSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001581815646 1075803518 /nfs/dbraw/zinc/80/35/18/1075803518.db2.gz KBDOSWRJWBCZCG-WCQYABFASA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001581815647 1075803432 /nfs/dbraw/zinc/80/34/32/1075803432.db2.gz KBDOSWRJWBCZCG-YPMHNXCESA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001581816165 1075803475 /nfs/dbraw/zinc/80/34/75/1075803475.db2.gz OOBKMSRFFCLNFG-INIZCTEOSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 ZINC001581816169 1075803461 /nfs/dbraw/zinc/80/34/61/1075803461.db2.gz OOBKMSRFFCLNFG-MRXNPFEDSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581816180 1075803632 /nfs/dbraw/zinc/80/36/32/1075803632.db2.gz ORIJDCPJLNPSRP-CHWSQXEVSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001581816184 1075803618 /nfs/dbraw/zinc/80/36/18/1075803618.db2.gz ORIJDCPJLNPSRP-OLZOCXBDSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001581816193 1075803592 /nfs/dbraw/zinc/80/35/92/1075803592.db2.gz OUODNZPQCQTXHH-UHFFFAOYSA-N 1 2 385.388 -1.526 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 ZINC001581816197 1075803675 /nfs/dbraw/zinc/80/36/75/1075803675.db2.gz OYBFHFREGOOKRL-GFCCVEGCSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 ZINC001581816201 1075804050 /nfs/dbraw/zinc/80/40/50/1075804050.db2.gz OYBFHFREGOOKRL-LBPRGKRZSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581816571 1075803891 /nfs/dbraw/zinc/80/38/91/1075803891.db2.gz SZLGDAGHNCGJNS-INIZCTEOSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001581816572 1075803970 /nfs/dbraw/zinc/80/39/70/1075803970.db2.gz SZLGDAGHNCGJNS-MRXNPFEDSA-N 1 2 384.404 -1.310 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 ZINC001581816844 1075803872 /nfs/dbraw/zinc/80/38/72/1075803872.db2.gz UTCIMXXWCRQNIZ-GFCCVEGCSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 ZINC001581816845 1075804132 /nfs/dbraw/zinc/80/41/32/1075804132.db2.gz UTCIMXXWCRQNIZ-LBPRGKRZSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581816849 1075804081 /nfs/dbraw/zinc/80/40/81/1075804081.db2.gz UVJBMUUVHNVXJG-NEPJUHHUSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581816850 1075804002 /nfs/dbraw/zinc/80/40/02/1075804002.db2.gz UVJBMUUVHNVXJG-NWDGAFQWSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581816851 1075803941 /nfs/dbraw/zinc/80/39/41/1075803941.db2.gz UVJBMUUVHNVXJG-RYUDHWBXSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581816852 1075804064 /nfs/dbraw/zinc/80/40/64/1075804064.db2.gz UVJBMUUVHNVXJG-VXGBXAGGSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)nn1 ZINC001581816858 1075804108 /nfs/dbraw/zinc/80/41/08/1075804108.db2.gz VFSMVPKFCYXXQX-GFCCVEGCSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)nn1 ZINC001581816859 1075804171 /nfs/dbraw/zinc/80/41/71/1075804171.db2.gz VFSMVPKFCYXXQX-LBPRGKRZSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001581817439 1075804020 /nfs/dbraw/zinc/80/40/20/1075804020.db2.gz BGHNNXLBPZHTEZ-CHWSQXEVSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001581817440 1075803912 /nfs/dbraw/zinc/80/39/12/1075803912.db2.gz BGHNNXLBPZHTEZ-OLZOCXBDSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001581817489 1075804008 /nfs/dbraw/zinc/80/40/08/1075804008.db2.gz DLNYPCJZJJYKLN-ZIAGYGMSSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001581817631 1075804514 /nfs/dbraw/zinc/80/45/14/1075804514.db2.gz JCXWBEOODZXENX-CHWSQXEVSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001581817632 1075804470 /nfs/dbraw/zinc/80/44/70/1075804470.db2.gz JCXWBEOODZXENX-OLZOCXBDSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001581817658 1075804343 /nfs/dbraw/zinc/80/43/43/1075804343.db2.gz KGPDDCKYAQPEII-ZIAGYGMSSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581817754 1075804434 /nfs/dbraw/zinc/80/44/34/1075804434.db2.gz OGSZTLHHCWDKEX-GFCCVEGCSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001581817755 1075804320 /nfs/dbraw/zinc/80/43/20/1075804320.db2.gz OGSZTLHHCWDKEX-LBPRGKRZSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581817804 1075804588 /nfs/dbraw/zinc/80/45/88/1075804588.db2.gz QFZBUQFNAXFVSY-GFCCVEGCSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001581817805 1075804417 /nfs/dbraw/zinc/80/44/17/1075804417.db2.gz QFZBUQFNAXFVSY-LBPRGKRZSA-N 1 2 387.404 -1.232 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001581817900 1075804604 /nfs/dbraw/zinc/80/46/04/1075804604.db2.gz VHMYXPBGZOVDDD-CHWSQXEVSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001581817901 1075804310 /nfs/dbraw/zinc/80/43/10/1075804310.db2.gz VHMYXPBGZOVDDD-OLZOCXBDSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001581817945 1075804410 /nfs/dbraw/zinc/80/44/10/1075804410.db2.gz XWHARPODOWPIQG-NEPJUHHUSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001581817946 1075804549 /nfs/dbraw/zinc/80/45/49/1075804549.db2.gz XWHARPODOWPIQG-VXGBXAGGSA-N 1 2 384.404 -1.311 20 0 GAADLO Cn1cnnc1CN1CC[NH+](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001581819400 1075809902 /nfs/dbraw/zinc/80/99/02/1075809902.db2.gz QZHYNESEBBTGBU-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1cnnc1CN1CC[NH+](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001581819597 1075809853 /nfs/dbraw/zinc/80/98/53/1075809853.db2.gz SUTAKSKRRIGBNU-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1cnnc1CN1CC[NH+](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001581819926 1075810763 /nfs/dbraw/zinc/81/07/63/1075810763.db2.gz YNBHLHKQJISDKX-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1[nH]c(C[N@H+]2CCC3(CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)C2)nc1=O ZINC001581823158 1075813610 /nfs/dbraw/zinc/81/36/10/1075813610.db2.gz JCXXMJZHABGOSV-UHFFFAOYSA-N 1 2 384.404 -1.035 20 0 GAADLO Cn1[nH]c(C[N@@H+]2CCC3(CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)C2)nc1=O ZINC001581823158 1075813607 /nfs/dbraw/zinc/81/36/07/1075813607.db2.gz JCXXMJZHABGOSV-UHFFFAOYSA-N 1 2 384.404 -1.035 20 0 GAADLO Cn1[nH]c(C[N@H+]2CCC3(CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C3)C2)nc1=O ZINC001581823868 1075813989 /nfs/dbraw/zinc/81/39/89/1075813989.db2.gz XPPXWJSYIYFJGS-UHFFFAOYSA-N 1 2 384.404 -1.035 20 0 GAADLO Cn1[nH]c(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C3)C2)nc1=O ZINC001581823868 1075813982 /nfs/dbraw/zinc/81/39/82/1075813982.db2.gz XPPXWJSYIYFJGS-UHFFFAOYSA-N 1 2 384.404 -1.035 20 0 GAADLO Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)nc1=O ZINC001581824248 1075814142 /nfs/dbraw/zinc/81/41/42/1075814142.db2.gz JXICLUXNCHQBDQ-JTQLQIEISA-N 1 2 388.392 -1.753 20 0 GAADLO Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)nc1=O ZINC001581824249 1075814043 /nfs/dbraw/zinc/81/40/43/1075814043.db2.gz JXICLUXNCHQBDQ-SNVBAGLBSA-N 1 2 388.392 -1.753 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]3C2)nc1=O ZINC001581824350 1075814059 /nfs/dbraw/zinc/81/40/59/1075814059.db2.gz NZDMUFUYKNNBJQ-PHIMTYICSA-N 1 2 384.404 -1.179 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]3C2)nc1=O ZINC001581824350 1075814055 /nfs/dbraw/zinc/81/40/55/1075814055.db2.gz NZDMUFUYKNNBJQ-PHIMTYICSA-N 1 2 384.404 -1.179 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]3C2)nc1=O ZINC001581824699 1075814090 /nfs/dbraw/zinc/81/40/90/1075814090.db2.gz YYKUJWLGNHJRDA-PHIMTYICSA-N 1 2 384.404 -1.179 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@H]3C2)nc1=O ZINC001581824699 1075814085 /nfs/dbraw/zinc/81/40/85/1075814085.db2.gz YYKUJWLGNHJRDA-PHIMTYICSA-N 1 2 384.404 -1.179 20 0 GAADLO Cn1ncc(CN2CC[NH+](CCNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001581832263 1075818152 /nfs/dbraw/zinc/81/81/52/1075818152.db2.gz CVOAVCKFHQBZAQ-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1nccc1C(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001581834960 1075818745 /nfs/dbraw/zinc/81/87/45/1075818745.db2.gz GTHLSPQJYFBFOC-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1nccc1C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001581835953 1075818761 /nfs/dbraw/zinc/81/87/61/1075818761.db2.gz PGUIWRZXNJFIAV-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1ncnc1CN1CC[NH+](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001581840771 1075820258 /nfs/dbraw/zinc/82/02/58/1075820258.db2.gz IIKRRMCMAOPNTH-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1ncnc1CN1CC[NH+](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001581840860 1075820106 /nfs/dbraw/zinc/82/01/06/1075820106.db2.gz MQDOJCASEYVPJM-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581843825 1075822577 /nfs/dbraw/zinc/82/25/77/1075822577.db2.gz RAQUYSJOWJDPQK-NEPJUHHUSA-N 1 2 388.367 -1.496 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@@H]2O)n1 ZINC001581843825 1075822573 /nfs/dbraw/zinc/82/25/73/1075822573.db2.gz RAQUYSJOWJDPQK-NEPJUHHUSA-N 1 2 388.367 -1.496 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581843826 1075822594 /nfs/dbraw/zinc/82/25/94/1075822594.db2.gz RAQUYSJOWJDPQK-VXGBXAGGSA-N 1 2 388.367 -1.496 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2O)n1 ZINC001581843826 1075822593 /nfs/dbraw/zinc/82/25/93/1075822593.db2.gz RAQUYSJOWJDPQK-VXGBXAGGSA-N 1 2 388.367 -1.496 20 0 GAADLO Cn1nnc(C(=O)NCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC001581843931 1075823002 /nfs/dbraw/zinc/82/30/02/1075823002.db2.gz WMECULSERXZSMP-UHFFFAOYSA-N 1 2 384.408 -1.663 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581844087 1075822941 /nfs/dbraw/zinc/82/29/41/1075822941.db2.gz YWZNQPNEJLGKMT-VXGBXAGGSA-N 1 2 388.367 -1.496 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]2O)n1 ZINC001581844087 1075822938 /nfs/dbraw/zinc/82/29/38/1075822938.db2.gz YWZNQPNEJLGKMT-VXGBXAGGSA-N 1 2 388.367 -1.496 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581844093 1075823038 /nfs/dbraw/zinc/82/30/38/1075823038.db2.gz ZGNVTKBAHDXUIC-BDAKNGLRSA-N 1 2 376.406 -1.573 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)n1 ZINC001581844093 1075823035 /nfs/dbraw/zinc/82/30/35/1075823035.db2.gz ZGNVTKBAHDXUIC-BDAKNGLRSA-N 1 2 376.406 -1.573 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581844094 1075822887 /nfs/dbraw/zinc/82/28/87/1075822887.db2.gz ZGNVTKBAHDXUIC-RKDXNWHRSA-N 1 2 376.406 -1.573 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)n1 ZINC001581844094 1075822881 /nfs/dbraw/zinc/82/28/81/1075822881.db2.gz ZGNVTKBAHDXUIC-RKDXNWHRSA-N 1 2 376.406 -1.573 20 0 GAADLO Cn1nnc(C[NH2+]CC2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCOCC2)n1 ZINC001581844639 1075824203 /nfs/dbraw/zinc/82/42/03/1075824203.db2.gz CTNYRAAKEIOVNC-UHFFFAOYSA-N 1 2 387.408 -1.213 20 0 GAADLO Cn1nnc(C[NH2+]CC2(O)CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n1 ZINC001581844839 1075824291 /nfs/dbraw/zinc/82/42/91/1075824291.db2.gz MMWSZVTYFXZPJO-UHFFFAOYSA-N 1 2 387.408 -1.525 20 0 GAADLO Cn1nnc(C[NH2+]CC2(O)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n1 ZINC001581844920 1075824588 /nfs/dbraw/zinc/82/45/88/1075824588.db2.gz PUJWIXKOXRLSGO-UHFFFAOYSA-N 1 2 387.408 -1.525 20 0 GAADLO Cn1nnc(C[NH2+]CC2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCOCC2)n1 ZINC001581845183 1075824973 /nfs/dbraw/zinc/82/49/73/1075824973.db2.gz XAQNGCITXPWNFZ-UHFFFAOYSA-N 1 2 387.408 -1.213 20 0 GAADLO Cn1nnc(C[NH2+]CC2(O)CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001581845194 1075825010 /nfs/dbraw/zinc/82/50/10/1075825010.db2.gz XPPNSJZQANDMBS-UHFFFAOYSA-N 1 2 387.408 -1.525 20 0 GAADLO Cn1nncc1C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001581848218 1075826993 /nfs/dbraw/zinc/82/69/93/1075826993.db2.gz HLATVKNFSNUZRV-UHFFFAOYSA-N 1 2 384.408 -1.663 20 0 GAADLO Cn1nncc1C(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001581848224 1075826996 /nfs/dbraw/zinc/82/69/96/1075826996.db2.gz HSCJEAFNRJXDBP-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1nncc1C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001581848264 1075826880 /nfs/dbraw/zinc/82/68/80/1075826880.db2.gz JQNOTHQNTAVPLM-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO Cn1nnnc1CN1CC[NH+](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001581848738 1075827460 /nfs/dbraw/zinc/82/74/60/1075827460.db2.gz BWQLWYOGBZPDKL-UHFFFAOYSA-N 1 2 386.424 -1.734 20 0 GAADLO Cn1nnnc1C[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581848986 1075827486 /nfs/dbraw/zinc/82/74/86/1075827486.db2.gz HXHMSDZFKIBCSO-HNNXBMFYSA-N 1 2 387.408 -1.525 20 0 GAADLO Cn1nnnc1C[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001581848987 1075827261 /nfs/dbraw/zinc/82/72/61/1075827261.db2.gz HXHMSDZFKIBCSO-OAHLLOKOSA-N 1 2 387.408 -1.525 20 0 GAADLO Cn1nnnc1CN1CC[NH+](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001581849183 1075827840 /nfs/dbraw/zinc/82/78/40/1075827840.db2.gz LGGSWUXTYUJYQW-UHFFFAOYSA-N 1 2 386.424 -1.734 20 0 GAADLO Cn1nnnc1CN1CC[NH+](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001581849581 1075827912 /nfs/dbraw/zinc/82/79/12/1075827912.db2.gz VGMCYTWCHZDVSM-UHFFFAOYSA-N 1 2 386.424 -1.734 20 0 GAADLO Cn1nnnc1C[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581849668 1075827852 /nfs/dbraw/zinc/82/78/52/1075827852.db2.gz YLDRSTDUPCLEQL-HNNXBMFYSA-N 1 2 387.408 -1.525 20 0 GAADLO Cn1nnnc1C[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001581849669 1075827818 /nfs/dbraw/zinc/82/78/18/1075827818.db2.gz YLDRSTDUPCLEQL-OAHLLOKOSA-N 1 2 387.408 -1.525 20 0 GAADLO Cn1nncc1CN1CC[NH+](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001581849745 1075828215 /nfs/dbraw/zinc/82/82/15/1075828215.db2.gz AVUSIJWBGJMLKE-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1nncc1CN1CC[NH+](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001581849852 1075828167 /nfs/dbraw/zinc/82/81/67/1075828167.db2.gz GCOOFOLEVGSDHN-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO Cn1nncc1CN1CC[NH+](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001581850120 1075828278 /nfs/dbraw/zinc/82/82/78/1075828278.db2.gz PSMGEPBQWZKTHA-UHFFFAOYSA-N 1 2 385.436 -1.129 20 0 GAADLO NC(=O)C(=O)NCc1cn(C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001581887332 1075828873 /nfs/dbraw/zinc/82/88/73/1075828873.db2.gz RRNLTRANEYERKK-UHFFFAOYSA-N 1 2 382.388 -1.383 20 0 GAADLO NC(=O)C(=O)N1CCN(C2C[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CC1 ZINC001581887684 1075829057 /nfs/dbraw/zinc/82/90/57/1075829057.db2.gz XFMBPXCYMSGVAR-UHFFFAOYSA-N 1 2 388.407 -1.181 20 0 GAADLO NC(=O)C1(C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)CC1 ZINC001581887818 1075829005 /nfs/dbraw/zinc/82/90/05/1075829005.db2.gz PNHMHJZMTFWTAS-UHFFFAOYSA-N 1 2 386.420 -1.840 20 0 GAADLO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001581887867 1075829079 /nfs/dbraw/zinc/82/90/79/1075829079.db2.gz RWLJSTRCJSXRDU-UHFFFAOYSA-N 1 2 388.436 -1.209 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@@H]2O)CC1 ZINC001581887935 1075828947 /nfs/dbraw/zinc/82/89/47/1075828947.db2.gz UTFUQOXBHJIDMA-OLZOCXBDSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@@H]2O)CC1 ZINC001581887935 1075828943 /nfs/dbraw/zinc/82/89/43/1075828943.db2.gz UTFUQOXBHJIDMA-OLZOCXBDSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)CC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001581889356 1075829548 /nfs/dbraw/zinc/82/95/48/1075829548.db2.gz HTWPPHBDVFQNTH-CYBMUJFWSA-N 1 2 385.432 -1.140 20 0 GAADLO NC(=O)CC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001581889357 1075829575 /nfs/dbraw/zinc/82/95/75/1075829575.db2.gz HTWPPHBDVFQNTH-ZDUSSCGKSA-N 1 2 385.432 -1.140 20 0 GAADLO NC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001581889484 1075829729 /nfs/dbraw/zinc/82/97/29/1075829729.db2.gz LWLJFRHQNADULU-LLVKDONJSA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001581889485 1075829595 /nfs/dbraw/zinc/82/95/95/1075829595.db2.gz LWLJFRHQNADULU-NSHDSACASA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CCCC(=O)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001581892899 1075830546 /nfs/dbraw/zinc/83/05/46/1075830546.db2.gz FFLUXSKOMAZENS-UHFFFAOYSA-N 1 2 388.436 -1.450 20 0 GAADLO NC(=O)CCCC(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001581893277 1075830319 /nfs/dbraw/zinc/83/03/19/1075830319.db2.gz QBGXXDAPDOUHNS-UHFFFAOYSA-N 1 2 388.436 -1.450 20 0 GAADLO NC(=O)CCCC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001581893389 1075830770 /nfs/dbraw/zinc/83/07/70/1075830770.db2.gz SYNMXGYWMACXOP-UHFFFAOYSA-N 1 2 388.436 -1.450 20 0 GAADLO NC(=O)CCCC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001581893473 1075830714 /nfs/dbraw/zinc/83/07/14/1075830714.db2.gz VSWZVZJNWLHOTQ-UHFFFAOYSA-N 1 2 388.436 -1.450 20 0 GAADLO NC(=O)CCCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001581893512 1075830746 /nfs/dbraw/zinc/83/07/46/1075830746.db2.gz WZQHOQSYKQGOAZ-UHFFFAOYSA-N 1 2 388.436 -1.450 20 0 GAADLO NC(=O)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CC2 ZINC001581896281 1075831992 /nfs/dbraw/zinc/83/19/92/1075831992.db2.gz BFDRSNYZDOBYNO-UHFFFAOYSA-N 1 2 387.404 -1.072 20 0 GAADLO NC(=O)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CC2 ZINC001581896505 1075832292 /nfs/dbraw/zinc/83/22/92/1075832292.db2.gz FMPDJUARWLOEFH-UHFFFAOYSA-N 1 2 387.404 -1.072 20 0 GAADLO NC(=O)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001581896977 1075833107 /nfs/dbraw/zinc/83/31/07/1075833107.db2.gz VKLAGISPZNDFEU-UHFFFAOYSA-N 1 2 387.404 -1.072 20 0 GAADLO NC(=O)NCCC(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581897189 1075833370 /nfs/dbraw/zinc/83/33/70/1075833370.db2.gz CXJIMXPHUSTCMH-UHFFFAOYSA-N 1 2 388.432 -1.022 20 0 GAADLO NC(=O)NCCC(=O)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581897452 1075833816 /nfs/dbraw/zinc/83/38/16/1075833816.db2.gz NCSHBLFSNZWRNW-UHFFFAOYSA-N 1 2 388.432 -1.022 20 0 GAADLO NC(=O)NCCC(=O)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581897765 1075834319 /nfs/dbraw/zinc/83/43/19/1075834319.db2.gz YLHSERIHAQUVLX-UHFFFAOYSA-N 1 2 388.432 -1.022 20 0 GAADLO NC(=O)NCCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001581897822 1075834156 /nfs/dbraw/zinc/83/41/56/1075834156.db2.gz BMUNESOTDNCGCE-UHFFFAOYSA-N 1 2 388.436 -1.442 20 0 GAADLO NC(=O)NCCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001581897977 1075834364 /nfs/dbraw/zinc/83/43/64/1075834364.db2.gz IQAARTWTLHJSPI-UHFFFAOYSA-N 1 2 388.436 -1.442 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001581898079 1075834421 /nfs/dbraw/zinc/83/44/21/1075834421.db2.gz LRRPCJMOWYRKKP-CHWSQXEVSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001581898079 1075834418 /nfs/dbraw/zinc/83/44/18/1075834418.db2.gz LRRPCJMOWYRKKP-CHWSQXEVSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001581898080 1075834890 /nfs/dbraw/zinc/83/48/90/1075834890.db2.gz LRRPCJMOWYRKKP-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001581898080 1075834887 /nfs/dbraw/zinc/83/48/87/1075834887.db2.gz LRRPCJMOWYRKKP-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001581898152 1075834552 /nfs/dbraw/zinc/83/45/52/1075834552.db2.gz OXMZQMJDEBTURV-NXEZZACHSA-N 1 2 380.434 -1.352 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001581898152 1075834548 /nfs/dbraw/zinc/83/45/48/1075834548.db2.gz OXMZQMJDEBTURV-NXEZZACHSA-N 1 2 380.434 -1.352 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001581898153 1075834692 /nfs/dbraw/zinc/83/46/92/1075834692.db2.gz OXMZQMJDEBTURV-ZJUUUORDSA-N 1 2 380.434 -1.352 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001581898153 1075834687 /nfs/dbraw/zinc/83/46/87/1075834687.db2.gz OXMZQMJDEBTURV-ZJUUUORDSA-N 1 2 380.434 -1.352 20 0 GAADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001581898249 1075834785 /nfs/dbraw/zinc/83/47/85/1075834785.db2.gz DMPXXMLIKKQIRI-NSHDSACASA-N 1 2 380.434 -1.120 20 0 GAADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001581898249 1075834777 /nfs/dbraw/zinc/83/47/77/1075834777.db2.gz DMPXXMLIKKQIRI-NSHDSACASA-N 1 2 380.434 -1.120 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001581898499 1075835015 /nfs/dbraw/zinc/83/50/15/1075835015.db2.gz RUNBTZUIUFSXBR-CHWSQXEVSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001581898499 1075835013 /nfs/dbraw/zinc/83/50/13/1075835013.db2.gz RUNBTZUIUFSXBR-CHWSQXEVSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001581898500 1075835210 /nfs/dbraw/zinc/83/52/10/1075835210.db2.gz RUNBTZUIUFSXBR-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001581898500 1075835205 /nfs/dbraw/zinc/83/52/05/1075835205.db2.gz RUNBTZUIUFSXBR-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001581898674 1075835037 /nfs/dbraw/zinc/83/50/37/1075835037.db2.gz UXPNKPMWZMHIDR-CHWSQXEVSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001581898674 1075835036 /nfs/dbraw/zinc/83/50/36/1075835036.db2.gz UXPNKPMWZMHIDR-CHWSQXEVSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001581898675 1075835191 /nfs/dbraw/zinc/83/51/91/1075835191.db2.gz UXPNKPMWZMHIDR-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001581898675 1075835188 /nfs/dbraw/zinc/83/51/88/1075835188.db2.gz UXPNKPMWZMHIDR-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581898895 1075835055 /nfs/dbraw/zinc/83/50/55/1075835055.db2.gz YSHXEGJFSJLLKW-UHFFFAOYSA-N 1 2 388.436 -1.442 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001581900416 1075836340 /nfs/dbraw/zinc/83/63/40/1075836340.db2.gz DQHQVBPNSCDDMN-WVWOOGAGSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001581900416 1075836336 /nfs/dbraw/zinc/83/63/36/1075836336.db2.gz DQHQVBPNSCDDMN-WVWOOGAGSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001581900417 1075836179 /nfs/dbraw/zinc/83/61/79/1075836179.db2.gz DQHQVBPNSCDDMN-ZMJPVWNMSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001581900417 1075836174 /nfs/dbraw/zinc/83/61/74/1075836174.db2.gz DQHQVBPNSCDDMN-ZMJPVWNMSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001581900504 1075836306 /nfs/dbraw/zinc/83/63/06/1075836306.db2.gz HDKTXGBEQQGNRW-RDBQEKCUSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001581900504 1075836299 /nfs/dbraw/zinc/83/62/99/1075836299.db2.gz HDKTXGBEQQGNRW-RDBQEKCUSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001581900583 1075836144 /nfs/dbraw/zinc/83/61/44/1075836144.db2.gz MEGBZOVGVNZQCP-WVWOOGAGSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001581900583 1075836140 /nfs/dbraw/zinc/83/61/40/1075836140.db2.gz MEGBZOVGVNZQCP-WVWOOGAGSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001581900693 1075836431 /nfs/dbraw/zinc/83/64/31/1075836431.db2.gz RPNVCZUJUPNCDU-LMLFDSFASA-N 1 2 377.430 -1.289 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001581900693 1075836425 /nfs/dbraw/zinc/83/64/25/1075836425.db2.gz RPNVCZUJUPNCDU-LMLFDSFASA-N 1 2 377.430 -1.289 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001581900694 1075836269 /nfs/dbraw/zinc/83/62/69/1075836269.db2.gz RPNVCZUJUPNCDU-YTWAJWBKSA-N 1 2 377.430 -1.289 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001581900694 1075836264 /nfs/dbraw/zinc/83/62/64/1075836264.db2.gz RPNVCZUJUPNCDU-YTWAJWBKSA-N 1 2 377.430 -1.289 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001581900828 1075836214 /nfs/dbraw/zinc/83/62/14/1075836214.db2.gz ZCHCJMHTVGMTPM-ZMJPVWNMSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001581900828 1075836210 /nfs/dbraw/zinc/83/62/10/1075836210.db2.gz ZCHCJMHTVGMTPM-ZMJPVWNMSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581900853 1075836394 /nfs/dbraw/zinc/83/63/94/1075836394.db2.gz ALUCEXGAUZPZEN-NEPJUHHUSA-N 1 2 385.432 -1.379 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001581900935 1075836675 /nfs/dbraw/zinc/83/66/75/1075836675.db2.gz DSRSGUCIWPSOMW-MNOVXSKESA-N 1 2 386.420 -1.984 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001581900939 1075836742 /nfs/dbraw/zinc/83/67/42/1075836742.db2.gz DTQBGQZGSPKCCH-OLZOCXBDSA-N 1 2 385.432 -1.379 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001581900984 1075836718 /nfs/dbraw/zinc/83/67/18/1075836718.db2.gz FDBYYLFUBHCUPB-MNOVXSKESA-N 1 2 386.420 -1.984 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001581901334 1075837020 /nfs/dbraw/zinc/83/70/20/1075837020.db2.gz PCFQSFFMOUOZGZ-OLZOCXBDSA-N 1 2 385.432 -1.379 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001581901591 1075837045 /nfs/dbraw/zinc/83/70/45/1075837045.db2.gz WMZGVUGIQOUJGU-OLZOCXBDSA-N 1 2 385.432 -1.379 20 0 GAADLO NC(=O)c1ncn(CC(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001581906453 1075838532 /nfs/dbraw/zinc/83/85/32/1075838532.db2.gz TZYURJDGQQQMCB-UHFFFAOYSA-N 1 2 382.388 -1.442 20 0 GAADLO NC(=O)c1ncn(CC(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001581906512 1075838656 /nfs/dbraw/zinc/83/86/56/1075838656.db2.gz VTUOAQAEMSFQEP-UHFFFAOYSA-N 1 2 382.388 -1.442 20 0 GAADLO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001581950154 1075842401 /nfs/dbraw/zinc/84/24/01/1075842401.db2.gz VCCBONGSZZJWAJ-JTQLQIEISA-N 1 2 388.388 -1.767 20 0 GAADLO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001581950155 1075842554 /nfs/dbraw/zinc/84/25/54/1075842554.db2.gz VCCBONGSZZJWAJ-SNVBAGLBSA-N 1 2 388.388 -1.767 20 0 GAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001582050687 1075851883 /nfs/dbraw/zinc/85/18/83/1075851883.db2.gz AFONOCLBMIMCGH-CHWSQXEVSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001582050688 1075851984 /nfs/dbraw/zinc/85/19/84/1075851984.db2.gz AFONOCLBMIMCGH-OLZOCXBDSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001582050751 1075851914 /nfs/dbraw/zinc/85/19/14/1075851914.db2.gz CSZGLILFYDOBAG-NEPJUHHUSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582050866 1075851832 /nfs/dbraw/zinc/85/18/32/1075851832.db2.gz GLHLWWFXOQNWKS-CHWSQXEVSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582050867 1075852057 /nfs/dbraw/zinc/85/20/57/1075852057.db2.gz GLHLWWFXOQNWKS-OLZOCXBDSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001582051276 1075851976 /nfs/dbraw/zinc/85/19/76/1075851976.db2.gz VPAHXLCSCLFYEC-CHWSQXEVSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582051305 1075852102 /nfs/dbraw/zinc/85/21/02/1075852102.db2.gz VPAHXLCSCLFYEC-OLZOCXBDSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001582052607 1075853163 /nfs/dbraw/zinc/85/31/63/1075853163.db2.gz BLHLCEWZHFVTJU-ATCWAGBWSA-N 1 2 385.432 -1.070 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001582052608 1075853202 /nfs/dbraw/zinc/85/32/02/1075853202.db2.gz BMYGFGJORCLSNZ-JYAVWHMHSA-N 1 2 385.432 -1.070 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]21 ZINC001582052619 1075852992 /nfs/dbraw/zinc/85/29/92/1075852992.db2.gz BWZVOGGRAZNXDN-IMRBUKKESA-N 1 2 385.432 -1.070 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582052620 1075853091 /nfs/dbraw/zinc/85/30/91/1075853091.db2.gz CDVDOROKMYZKQT-CHWSQXEVSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582052621 1075853040 /nfs/dbraw/zinc/85/30/40/1075853040.db2.gz CDVDOROKMYZKQT-OLZOCXBDSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1 ZINC001582052643 1075853218 /nfs/dbraw/zinc/85/32/18/1075853218.db2.gz DLOXSEIVULGBFU-UHFFFAOYSA-N 1 2 391.436 -1.388 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582052662 1075853207 /nfs/dbraw/zinc/85/32/07/1075853207.db2.gz FSOBBLCWIRMJHO-LLVKDONJSA-N 1 2 377.409 -2.310 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001582052663 1075853189 /nfs/dbraw/zinc/85/31/89/1075853189.db2.gz FSOBBLCWIRMJHO-NSHDSACASA-N 1 2 377.409 -2.310 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001582052781 1075853432 /nfs/dbraw/zinc/85/34/32/1075853432.db2.gz GKYSVTVHRVQVOI-LLVKDONJSA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001582052782 1075853483 /nfs/dbraw/zinc/85/34/83/1075853483.db2.gz GKYSVTVHRVQVOI-NSHDSACASA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001582052825 1075853463 /nfs/dbraw/zinc/85/34/63/1075853463.db2.gz HRCDFEOSUFPQRL-UHFFFAOYSA-N 1 2 391.436 -1.388 20 0 GAADLO O=C(CCN1CCOCC1)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582052840 1075853421 /nfs/dbraw/zinc/85/34/21/1075853421.db2.gz IIOJFBDCFGLGAY-HIFRSBDPSA-N 1 2 388.432 -1.350 20 0 GAADLO O=C(CCN1CCOCC1)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582052891 1075853548 /nfs/dbraw/zinc/85/35/48/1075853548.db2.gz JQHBGTCMRWXJKV-GFCCVEGCSA-N 1 2 376.421 -1.705 20 0 GAADLO O=C(CCN1CCOCC1)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582052894 1075853558 /nfs/dbraw/zinc/85/35/58/1075853558.db2.gz JQHBGTCMRWXJKV-LBPRGKRZSA-N 1 2 376.421 -1.705 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]21 ZINC001582052913 1075853392 /nfs/dbraw/zinc/85/33/92/1075853392.db2.gz JUVCQNITRLJBSP-ATCWAGBWSA-N 1 2 385.432 -1.070 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]21 ZINC001582052952 1075853568 /nfs/dbraw/zinc/85/35/68/1075853568.db2.gz KVUCZFPQMGHDMJ-ATCWAGBWSA-N 1 2 385.432 -1.070 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582053056 1075853960 /nfs/dbraw/zinc/85/39/60/1075853960.db2.gz MUPGVRGBKNWVMQ-NEPJUHHUSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582053057 1075853887 /nfs/dbraw/zinc/85/38/87/1075853887.db2.gz MUPGVRGBKNWVMQ-VXGBXAGGSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CCN1CCOCC1)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582053204 1075853986 /nfs/dbraw/zinc/85/39/86/1075853986.db2.gz PLLZEPHLGOCDQG-UHFFFAOYSA-N 1 2 390.448 -1.361 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N(CCO)CCNc1nccnc1-c1nn[nH]n1 ZINC001582053218 1075853873 /nfs/dbraw/zinc/85/38/73/1075853873.db2.gz QBAUPUATRIOEHY-UHFFFAOYSA-N 1 2 391.436 -1.388 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001582053235 1075853756 /nfs/dbraw/zinc/85/37/56/1075853756.db2.gz QHFBNTYBYPBGQF-UHFFFAOYSA-N 1 2 391.436 -1.966 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001582053236 1075854345 /nfs/dbraw/zinc/85/43/45/1075854345.db2.gz QHPVBIXVSBLSFH-NEPJUHHUSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001582053241 1075854171 /nfs/dbraw/zinc/85/41/71/1075854171.db2.gz QOYLKOHQFLDECP-CHWSQXEVSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001582053242 1075854291 /nfs/dbraw/zinc/85/42/91/1075854291.db2.gz QOYLKOHQFLDECP-OLZOCXBDSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001582053321 1075854351 /nfs/dbraw/zinc/85/43/51/1075854351.db2.gz SXIMVZLBLODMLR-LLVKDONJSA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 ZINC001582053322 1075854240 /nfs/dbraw/zinc/85/42/40/1075854240.db2.gz SXIMVZLBLODMLR-NSHDSACASA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001582053324 1075854324 /nfs/dbraw/zinc/85/43/24/1075854324.db2.gz TWSUEGSSNVVUEX-LLVKDONJSA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 ZINC001582053325 1075854211 /nfs/dbraw/zinc/85/42/11/1075854211.db2.gz TWSUEGSSNVVUEX-NSHDSACASA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001582053333 1075854334 /nfs/dbraw/zinc/85/43/34/1075854334.db2.gz UJAWLNPLDDGNCQ-LLVKDONJSA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1cncc(-c2nn[nH]n2)n1 ZINC001582053334 1075854275 /nfs/dbraw/zinc/85/42/75/1075854275.db2.gz UJAWLNPLDDGNCQ-NSHDSACASA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001582053346 1075854265 /nfs/dbraw/zinc/85/42/65/1075854265.db2.gz VMYLFBXULRMMEI-CHWSQXEVSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582053347 1075854307 /nfs/dbraw/zinc/85/43/07/1075854307.db2.gz VMYLFBXULRMMEI-OLZOCXBDSA-N 1 2 389.420 -1.955 20 0 GAADLO O=C(CCN1CCOCC1)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582053364 1075854826 /nfs/dbraw/zinc/85/48/26/1075854826.db2.gz WHFRZESADAOVTH-GFCCVEGCSA-N 1 2 376.421 -1.705 20 0 GAADLO O=C(CCN1CCOCC1)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582053365 1075854743 /nfs/dbraw/zinc/85/47/43/1075854743.db2.gz WHFRZESADAOVTH-LBPRGKRZSA-N 1 2 376.421 -1.705 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582053402 1075854548 /nfs/dbraw/zinc/85/45/48/1075854548.db2.gz XYQQWQYRBCHCAL-LLVKDONJSA-N 1 2 377.409 -2.310 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001582053403 1075854733 /nfs/dbraw/zinc/85/47/33/1075854733.db2.gz XYQQWQYRBCHCAL-NSHDSACASA-N 1 2 377.409 -2.310 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001582053545 1075854821 /nfs/dbraw/zinc/85/48/21/1075854821.db2.gz ZFILYEPRTCVCFF-LLVKDONJSA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1 ZINC001582053547 1075854641 /nfs/dbraw/zinc/85/46/41/1075854641.db2.gz ZFILYEPRTCVCFF-NSHDSACASA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001582053573 1075854512 /nfs/dbraw/zinc/85/45/12/1075854512.db2.gz ZVTHFERHKLSVLN-LLVKDONJSA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1 ZINC001582053574 1075854577 /nfs/dbraw/zinc/85/45/77/1075854577.db2.gz ZVTHFERHKLSVLN-NSHDSACASA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582058833 1075855575 /nfs/dbraw/zinc/85/55/75/1075855575.db2.gz HPGUZGUMCRYHIC-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582058833 1075855571 /nfs/dbraw/zinc/85/55/71/1075855571.db2.gz HPGUZGUMCRYHIC-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582058945 1075855520 /nfs/dbraw/zinc/85/55/20/1075855520.db2.gz NWTVNLVVHRIQNP-CHWSQXEVSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582058945 1075855513 /nfs/dbraw/zinc/85/55/13/1075855513.db2.gz NWTVNLVVHRIQNP-CHWSQXEVSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582058946 1075855351 /nfs/dbraw/zinc/85/53/51/1075855351.db2.gz NWTVNLVVHRIQNP-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582058946 1075855349 /nfs/dbraw/zinc/85/53/49/1075855349.db2.gz NWTVNLVVHRIQNP-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582058997 1075855390 /nfs/dbraw/zinc/85/53/90/1075855390.db2.gz PIIKKGWJDCKHIN-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582058997 1075855384 /nfs/dbraw/zinc/85/53/84/1075855384.db2.gz PIIKKGWJDCKHIN-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582059143 1075855427 /nfs/dbraw/zinc/85/54/27/1075855427.db2.gz VYSCXGNQKQDGLU-CHWSQXEVSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582059143 1075855424 /nfs/dbraw/zinc/85/54/24/1075855424.db2.gz VYSCXGNQKQDGLU-CHWSQXEVSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582059144 1075855722 /nfs/dbraw/zinc/85/57/22/1075855722.db2.gz VYSCXGNQKQDGLU-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582059144 1075855720 /nfs/dbraw/zinc/85/57/20/1075855720.db2.gz VYSCXGNQKQDGLU-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001582081097 1075857008 /nfs/dbraw/zinc/85/70/08/1075857008.db2.gz IQYWTPNSUZOBRZ-SECBINFHSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001582081098 1075856988 /nfs/dbraw/zinc/85/69/88/1075856988.db2.gz IQYWTPNSUZOBRZ-VIFPVBQESA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001582081113 1075857088 /nfs/dbraw/zinc/85/70/88/1075857088.db2.gz JFLTVKKXJTWMCK-SNVBAGLBSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001582081113 1075857083 /nfs/dbraw/zinc/85/70/83/1075857083.db2.gz JFLTVKKXJTWMCK-SNVBAGLBSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001582081155 1075856792 /nfs/dbraw/zinc/85/67/92/1075856792.db2.gz KMVGNQGOKSYCMT-WDEREUQCSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001582081155 1075856790 /nfs/dbraw/zinc/85/67/90/1075856790.db2.gz KMVGNQGOKSYCMT-WDEREUQCSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001582081215 1075856832 /nfs/dbraw/zinc/85/68/32/1075856832.db2.gz MRMOXEFXCFNVPB-GHMZBOCLSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001582081215 1075856827 /nfs/dbraw/zinc/85/68/27/1075856827.db2.gz MRMOXEFXCFNVPB-GHMZBOCLSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001582081216 1075856973 /nfs/dbraw/zinc/85/69/73/1075856973.db2.gz MRMOXEFXCFNVPB-MNOVXSKESA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001582081216 1075856967 /nfs/dbraw/zinc/85/69/67/1075856967.db2.gz MRMOXEFXCFNVPB-MNOVXSKESA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001582081217 1075856944 /nfs/dbraw/zinc/85/69/44/1075856944.db2.gz MRMOXEFXCFNVPB-QWRGUYRKSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001582081217 1075856936 /nfs/dbraw/zinc/85/69/36/1075856936.db2.gz MRMOXEFXCFNVPB-QWRGUYRKSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001582081218 1075856809 /nfs/dbraw/zinc/85/68/09/1075856809.db2.gz MRMOXEFXCFNVPB-WDEREUQCSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001582081218 1075856807 /nfs/dbraw/zinc/85/68/07/1075856807.db2.gz MRMOXEFXCFNVPB-WDEREUQCSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001582081219 1075856864 /nfs/dbraw/zinc/85/68/64/1075856864.db2.gz MXHNPLOKKKWUOO-VHSXEESVSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001582081219 1075856860 /nfs/dbraw/zinc/85/68/60/1075856860.db2.gz MXHNPLOKKKWUOO-VHSXEESVSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001582083186 1075857791 /nfs/dbraw/zinc/85/77/91/1075857791.db2.gz BBKXVCGHJGOCPI-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001582083187 1075857678 /nfs/dbraw/zinc/85/76/78/1075857678.db2.gz BBKXVCGHJGOCPI-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001582083521 1075858258 /nfs/dbraw/zinc/85/82/58/1075858258.db2.gz JMFVVFRUJWCLFC-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001582083541 1075858309 /nfs/dbraw/zinc/85/83/09/1075858309.db2.gz KBNZAZIXVHEOCJ-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001582083541 1075858307 /nfs/dbraw/zinc/85/83/07/1075858307.db2.gz KBNZAZIXVHEOCJ-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001582083542 1075858557 /nfs/dbraw/zinc/85/85/57/1075858557.db2.gz KBNZAZIXVHEOCJ-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001582083542 1075858548 /nfs/dbraw/zinc/85/85/48/1075858548.db2.gz KBNZAZIXVHEOCJ-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NCC[NH+]1CCC(O)CC1 ZINC001582083739 1075858593 /nfs/dbraw/zinc/85/85/93/1075858593.db2.gz RSBQJLZFBCAMML-UHFFFAOYSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001582083753 1075858647 /nfs/dbraw/zinc/85/86/47/1075858647.db2.gz SOGCZYPEQXXDIB-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001582083753 1075858641 /nfs/dbraw/zinc/85/86/41/1075858641.db2.gz SOGCZYPEQXXDIB-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001582083754 1075858522 /nfs/dbraw/zinc/85/85/22/1075858522.db2.gz SOGCZYPEQXXDIB-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001582083754 1075858518 /nfs/dbraw/zinc/85/85/18/1075858518.db2.gz SOGCZYPEQXXDIB-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001582083780 1075858704 /nfs/dbraw/zinc/85/87/04/1075858704.db2.gz UVKCLRDHPALKOO-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001582083780 1075858701 /nfs/dbraw/zinc/85/87/01/1075858701.db2.gz UVKCLRDHPALKOO-LLVKDONJSA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001582083781 1075858675 /nfs/dbraw/zinc/85/86/75/1075858675.db2.gz UVKCLRDHPALKOO-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001582083781 1075858670 /nfs/dbraw/zinc/85/86/70/1075858670.db2.gz UVKCLRDHPALKOO-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NCC[N@H+]1CCCOCC1 ZINC001582083812 1075859001 /nfs/dbraw/zinc/85/90/01/1075859001.db2.gz WAOIORCWFHSLBY-UHFFFAOYSA-N 1 2 378.393 -1.642 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NCC[N@@H+]1CCCOCC1 ZINC001582083812 1075858995 /nfs/dbraw/zinc/85/89/95/1075858995.db2.gz WAOIORCWFHSLBY-UHFFFAOYSA-N 1 2 378.393 -1.642 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001582088601 1075859925 /nfs/dbraw/zinc/85/99/25/1075859925.db2.gz IVUMVGYAKVWMBJ-NEPJUHHUSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001582088602 1075860310 /nfs/dbraw/zinc/86/03/10/1075860310.db2.gz IVUMVGYAKVWMBJ-NWDGAFQWSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001582088603 1075860095 /nfs/dbraw/zinc/86/00/95/1075860095.db2.gz IVUMVGYAKVWMBJ-RYUDHWBXSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1O ZINC001582088604 1075860398 /nfs/dbraw/zinc/86/03/98/1075860398.db2.gz IVUMVGYAKVWMBJ-VXGBXAGGSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582088885 1075860442 /nfs/dbraw/zinc/86/04/42/1075860442.db2.gz MXTJSVNSCWAAJV-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001582088940 1075860323 /nfs/dbraw/zinc/86/03/23/1075860323.db2.gz OSRJIYWAZSZHTA-AAEUAGOBSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001582088941 1075860362 /nfs/dbraw/zinc/86/03/62/1075860362.db2.gz OSRJIYWAZSZHTA-DGCLKSJQSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O ZINC001582088942 1075860428 /nfs/dbraw/zinc/86/04/28/1075860428.db2.gz OSRJIYWAZSZHTA-WCQYABFASA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001582088943 1075860455 /nfs/dbraw/zinc/86/04/55/1075860455.db2.gz OSRJIYWAZSZHTA-YPMHNXCESA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582089054 1075860115 /nfs/dbraw/zinc/86/01/15/1075860115.db2.gz SFYGWICDHCIPFP-AAEUAGOBSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582089055 1075860353 /nfs/dbraw/zinc/86/03/53/1075860353.db2.gz SFYGWICDHCIPFP-DGCLKSJQSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001582089056 1075860235 /nfs/dbraw/zinc/86/02/35/1075860235.db2.gz SFYGWICDHCIPFP-WCQYABFASA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001582089057 1075860283 /nfs/dbraw/zinc/86/02/83/1075860283.db2.gz SFYGWICDHCIPFP-YPMHNXCESA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582089210 1075860377 /nfs/dbraw/zinc/86/03/77/1075860377.db2.gz YPHYHQUSWBFAGE-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582089245 1075860198 /nfs/dbraw/zinc/86/01/98/1075860198.db2.gz ZQRDKDXFCJENPL-AAEUAGOBSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001582089246 1075860156 /nfs/dbraw/zinc/86/01/56/1075860156.db2.gz ZQRDKDXFCJENPL-DGCLKSJQSA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001582089247 1075860407 /nfs/dbraw/zinc/86/04/07/1075860407.db2.gz ZQRDKDXFCJENPL-WCQYABFASA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O ZINC001582089248 1075860126 /nfs/dbraw/zinc/86/01/26/1075860126.db2.gz ZQRDKDXFCJENPL-YPMHNXCESA-N 1 2 384.404 -1.001 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582089826 1075860743 /nfs/dbraw/zinc/86/07/43/1075860743.db2.gz AELFZOTXUMYCOI-CHWSQXEVSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582089827 1075860701 /nfs/dbraw/zinc/86/07/01/1075860701.db2.gz AELFZOTXUMYCOI-OLZOCXBDSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582089870 1075860735 /nfs/dbraw/zinc/86/07/35/1075860735.db2.gz CANZYISJQSYRLN-CHWSQXEVSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582089871 1075860648 /nfs/dbraw/zinc/86/06/48/1075860648.db2.gz CANZYISJQSYRLN-OLZOCXBDSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCn1cc[nH+]c1)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582090637 1075860760 /nfs/dbraw/zinc/86/07/60/1075860760.db2.gz YPVQOLMCWBXPMW-CHWSQXEVSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582096412 1075867583 /nfs/dbraw/zinc/86/75/83/1075867583.db2.gz OSDIYRXQOVLGSS-GHMZBOCLSA-N 1 2 390.433 -1.334 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582096412 1075867578 /nfs/dbraw/zinc/86/75/78/1075867578.db2.gz OSDIYRXQOVLGSS-GHMZBOCLSA-N 1 2 390.433 -1.334 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582096413 1075867607 /nfs/dbraw/zinc/86/76/07/1075867607.db2.gz OSDIYRXQOVLGSS-MNOVXSKESA-N 1 2 390.433 -1.334 20 0 GAADLO O=C(CCn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582096413 1075867602 /nfs/dbraw/zinc/86/76/02/1075867602.db2.gz OSDIYRXQOVLGSS-MNOVXSKESA-N 1 2 390.433 -1.334 20 0 GAADLO O=C(C[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC(=O)NC1CC1 ZINC001582096504 1075867558 /nfs/dbraw/zinc/86/75/58/1075867558.db2.gz TZHXXCZPYCKTDB-UHFFFAOYSA-N 1 2 387.404 -1.155 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098282 1075868260 /nfs/dbraw/zinc/86/82/60/1075868260.db2.gz IELRMQNBBXHJFD-BXUZGUMPSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098282 1075868251 /nfs/dbraw/zinc/86/82/51/1075868251.db2.gz IELRMQNBBXHJFD-BXUZGUMPSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098283 1075868064 /nfs/dbraw/zinc/86/80/64/1075868064.db2.gz IELRMQNBBXHJFD-FZMZJTMJSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098283 1075868060 /nfs/dbraw/zinc/86/80/60/1075868060.db2.gz IELRMQNBBXHJFD-FZMZJTMJSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098284 1075868145 /nfs/dbraw/zinc/86/81/45/1075868145.db2.gz IELRMQNBBXHJFD-RISCZKNCSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098284 1075868142 /nfs/dbraw/zinc/86/81/42/1075868142.db2.gz IELRMQNBBXHJFD-RISCZKNCSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098285 1075868028 /nfs/dbraw/zinc/86/80/28/1075868028.db2.gz IELRMQNBBXHJFD-SMDDNHRTSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098285 1075868025 /nfs/dbraw/zinc/86/80/25/1075868025.db2.gz IELRMQNBBXHJFD-SMDDNHRTSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[NH+]1CCC(CO)CC1)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001582098332 1075868020 /nfs/dbraw/zinc/86/80/20/1075868020.db2.gz JINKLFMAABSHGX-UHFFFAOYSA-N 1 2 390.404 -1.783 20 0 GAADLO O=C(C[NH+]1CCC(CO)CC1)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001582098374 1075868131 /nfs/dbraw/zinc/86/81/31/1075868131.db2.gz KQXJNLTVYNZVCN-UHFFFAOYSA-N 1 2 378.393 -2.051 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1)NCC1CC1 ZINC001582098378 1075868217 /nfs/dbraw/zinc/86/82/17/1075868217.db2.gz KUWAROYOZCYWBK-GXTWGEPZSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1)NCC1CC1 ZINC001582098378 1075868212 /nfs/dbraw/zinc/86/82/12/1075868212.db2.gz KUWAROYOZCYWBK-GXTWGEPZSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)NCC1CC1 ZINC001582098379 1075868007 /nfs/dbraw/zinc/86/80/07/1075868007.db2.gz KUWAROYOZCYWBK-JSGCOSHPSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)NCC1CC1 ZINC001582098379 1075868005 /nfs/dbraw/zinc/86/80/05/1075868005.db2.gz KUWAROYOZCYWBK-JSGCOSHPSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)NCC1CC1 ZINC001582098380 1075868718 /nfs/dbraw/zinc/86/87/18/1075868718.db2.gz KUWAROYOZCYWBK-OCCSQVGLSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)NCC1CC1 ZINC001582098380 1075868715 /nfs/dbraw/zinc/86/87/15/1075868715.db2.gz KUWAROYOZCYWBK-OCCSQVGLSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1)NCC1CC1 ZINC001582098381 1075868767 /nfs/dbraw/zinc/86/87/67/1075868767.db2.gz KUWAROYOZCYWBK-TZMCWYRMSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1)NCC1CC1 ZINC001582098381 1075868761 /nfs/dbraw/zinc/86/87/61/1075868761.db2.gz KUWAROYOZCYWBK-TZMCWYRMSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098505 1075868494 /nfs/dbraw/zinc/86/84/94/1075868494.db2.gz OXAZVSXYVIFSTA-GXTWGEPZSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098505 1075868491 /nfs/dbraw/zinc/86/84/91/1075868491.db2.gz OXAZVSXYVIFSTA-GXTWGEPZSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098506 1075868508 /nfs/dbraw/zinc/86/85/08/1075868508.db2.gz OXAZVSXYVIFSTA-JSGCOSHPSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098506 1075868504 /nfs/dbraw/zinc/86/85/04/1075868504.db2.gz OXAZVSXYVIFSTA-JSGCOSHPSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098507 1075868551 /nfs/dbraw/zinc/86/85/51/1075868551.db2.gz OXAZVSXYVIFSTA-OCCSQVGLSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1)NCC1CC1 ZINC001582098507 1075868545 /nfs/dbraw/zinc/86/85/45/1075868545.db2.gz OXAZVSXYVIFSTA-OCCSQVGLSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098508 1075868746 /nfs/dbraw/zinc/86/87/46/1075868746.db2.gz OXAZVSXYVIFSTA-TZMCWYRMSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1)NCC1CC1 ZINC001582098508 1075868743 /nfs/dbraw/zinc/86/87/43/1075868743.db2.gz OXAZVSXYVIFSTA-TZMCWYRMSA-N 1 2 388.432 -1.114 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)NC(=O)NC1CC1 ZINC001582098565 1075868482 /nfs/dbraw/zinc/86/84/82/1075868482.db2.gz QVZYAZARHNYXEV-LLVKDONJSA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)NC(=O)NC1CC1 ZINC001582098565 1075868481 /nfs/dbraw/zinc/86/84/81/1075868481.db2.gz QVZYAZARHNYXEV-LLVKDONJSA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)NC(=O)NC1CC1 ZINC001582098566 1075868787 /nfs/dbraw/zinc/86/87/87/1075868787.db2.gz QVZYAZARHNYXEV-NSHDSACASA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)NC(=O)NC1CC1 ZINC001582098566 1075868783 /nfs/dbraw/zinc/86/87/83/1075868783.db2.gz QVZYAZARHNYXEV-NSHDSACASA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC(=O)NC1CC1 ZINC001582098758 1075869047 /nfs/dbraw/zinc/86/90/47/1075869047.db2.gz XZNMKILFORTNNH-LLVKDONJSA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC(=O)NC1CC1 ZINC001582098758 1075869045 /nfs/dbraw/zinc/86/90/45/1075869045.db2.gz XZNMKILFORTNNH-LLVKDONJSA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC(=O)NC1CC1 ZINC001582098759 1075869097 /nfs/dbraw/zinc/86/90/97/1075869097.db2.gz XZNMKILFORTNNH-NSHDSACASA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)NC(=O)NC1CC1 ZINC001582098759 1075869096 /nfs/dbraw/zinc/86/90/96/1075869096.db2.gz XZNMKILFORTNNH-NSHDSACASA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)NC(=O)NC1CC1 ZINC001582098773 1075869033 /nfs/dbraw/zinc/86/90/33/1075869033.db2.gz YIGJCDXFYZMWDV-JTQLQIEISA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)NC(=O)NC1CC1 ZINC001582098773 1075869030 /nfs/dbraw/zinc/86/90/30/1075869030.db2.gz YIGJCDXFYZMWDV-JTQLQIEISA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)NC(=O)NC1CC1 ZINC001582098774 1075869105 /nfs/dbraw/zinc/86/91/05/1075869105.db2.gz YIGJCDXFYZMWDV-SNVBAGLBSA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)NC(=O)NC1CC1 ZINC001582098774 1075869104 /nfs/dbraw/zinc/86/91/04/1075869104.db2.gz YIGJCDXFYZMWDV-SNVBAGLBSA-N 1 2 387.404 -1.013 20 0 GAADLO O=C(C[NH+]1CCCC1)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582100233 1075869366 /nfs/dbraw/zinc/86/93/66/1075869366.db2.gz BHYRNDPNKAVNAW-UHFFFAOYSA-N 1 2 386.464 -1.009 20 0 GAADLO O=C(CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)N1CC([NH2+]C2COC2)C1 ZINC001582132577 1075889343 /nfs/dbraw/zinc/88/93/43/1075889343.db2.gz POKKTMQYVKVYCY-UHFFFAOYSA-N 1 2 392.441 -1.019 20 0 GAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582134546 1075889327 /nfs/dbraw/zinc/88/93/27/1075889327.db2.gz NEKACMMHLCKZDT-NSHDSACASA-N 1 2 376.352 -1.190 20 0 GAADLO O=C(Cc1cc[nH]n1)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001582159094 1075889769 /nfs/dbraw/zinc/88/97/69/1075889769.db2.gz IGXVMQXPMUQCRI-UHFFFAOYSA-N 1 2 383.420 -1.139 20 0 GAADLO O=C(Cc1cc[nH]n1)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001582159378 1075889563 /nfs/dbraw/zinc/88/95/63/1075889563.db2.gz RXEYBQPIMKJDKK-UHFFFAOYSA-N 1 2 383.420 -1.139 20 0 GAADLO O=C(Cc1cc[nH]n1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001582159563 1075889521 /nfs/dbraw/zinc/88/95/21/1075889521.db2.gz ZAPPOILCTYEJMZ-UHFFFAOYSA-N 1 2 383.420 -1.139 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582169308 1075889927 /nfs/dbraw/zinc/88/99/27/1075889927.db2.gz MJAUBRXQKQNRFM-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582169499 1075890020 /nfs/dbraw/zinc/89/00/20/1075890020.db2.gz VGHLHLKNAMSORZ-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582169794 1075889899 /nfs/dbraw/zinc/88/98/99/1075889899.db2.gz FJFPZKPSXJUQAY-AAEUAGOBSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582169795 1075889989 /nfs/dbraw/zinc/88/99/89/1075889989.db2.gz FJFPZKPSXJUQAY-DGCLKSJQSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582169796 1075889933 /nfs/dbraw/zinc/88/99/33/1075889933.db2.gz FJFPZKPSXJUQAY-WCQYABFASA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582169797 1075889890 /nfs/dbraw/zinc/88/98/90/1075889890.db2.gz FJFPZKPSXJUQAY-YPMHNXCESA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582170078 1075890054 /nfs/dbraw/zinc/89/00/54/1075890054.db2.gz MUAOOZLNIIMXIB-GWCFXTLKSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582170079 1075889906 /nfs/dbraw/zinc/88/99/06/1075889906.db2.gz MUAOOZLNIIMXIB-GXFFZTMASA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582170080 1075890084 /nfs/dbraw/zinc/89/00/84/1075890084.db2.gz MUAOOZLNIIMXIB-MFKMUULPSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582170081 1075889940 /nfs/dbraw/zinc/88/99/40/1075889940.db2.gz MUAOOZLNIIMXIB-ZWNOBZJWSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582170149 1075889971 /nfs/dbraw/zinc/88/99/71/1075889971.db2.gz PDJIWKGPPZUGMU-AAEUAGOBSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582170150 1075889977 /nfs/dbraw/zinc/88/99/77/1075889977.db2.gz PDJIWKGPPZUGMU-DGCLKSJQSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582170151 1075889947 /nfs/dbraw/zinc/88/99/47/1075889947.db2.gz PDJIWKGPPZUGMU-WCQYABFASA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582170152 1075889957 /nfs/dbraw/zinc/88/99/57/1075889957.db2.gz PDJIWKGPPZUGMU-YPMHNXCESA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582170189 1075889964 /nfs/dbraw/zinc/88/99/64/1075889964.db2.gz QHVDCOYKDYPEHV-INIZCTEOSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582170190 1075889921 /nfs/dbraw/zinc/88/99/21/1075889921.db2.gz QHVDCOYKDYPEHV-MRXNPFEDSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1nnc[nH]1)N1CCC(O)(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582179136 1075890216 /nfs/dbraw/zinc/89/02/16/1075890216.db2.gz OPMDRAMCSCFBFS-UHFFFAOYSA-N 1 2 384.404 -1.190 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179704 1075890322 /nfs/dbraw/zinc/89/03/22/1075890322.db2.gz AGKXIRJXBBHBKF-JTQLQIEISA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179705 1075890411 /nfs/dbraw/zinc/89/04/11/1075890411.db2.gz AGKXIRJXBBHBKF-SNVBAGLBSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179718 1075890312 /nfs/dbraw/zinc/89/03/12/1075890312.db2.gz AXHMYPZSXURCEG-JTQLQIEISA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582179719 1075890401 /nfs/dbraw/zinc/89/04/01/1075890401.db2.gz AXHMYPZSXURCEG-SNVBAGLBSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582179732 1075890237 /nfs/dbraw/zinc/89/02/37/1075890237.db2.gz BDXLZGUSBRIKQP-JTQLQIEISA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582179733 1075890367 /nfs/dbraw/zinc/89/03/67/1075890367.db2.gz BDXLZGUSBRIKQP-SNVBAGLBSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582179793 1075890651 /nfs/dbraw/zinc/89/06/51/1075890651.db2.gz DHIMXYNHIRWEBJ-LLVKDONJSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582179794 1075890627 /nfs/dbraw/zinc/89/06/27/1075890627.db2.gz DHIMXYNHIRWEBJ-NSHDSACASA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180652 1075890512 /nfs/dbraw/zinc/89/05/12/1075890512.db2.gz QUMFDJNRKAENCV-LLVKDONJSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nc[nH]n1)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180652 1075890508 /nfs/dbraw/zinc/89/05/08/1075890508.db2.gz QUMFDJNRKAENCV-LLVKDONJSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180653 1075890525 /nfs/dbraw/zinc/89/05/25/1075890525.db2.gz QUMFDJNRKAENCV-NSHDSACASA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nc[nH]n1)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180653 1075890519 /nfs/dbraw/zinc/89/05/19/1075890519.db2.gz QUMFDJNRKAENCV-NSHDSACASA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582180723 1075890854 /nfs/dbraw/zinc/89/08/54/1075890854.db2.gz SPFVMSUTIPAOHY-LLVKDONJSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nc[nH]n1)NC[C@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582180723 1075890850 /nfs/dbraw/zinc/89/08/50/1075890850.db2.gz SPFVMSUTIPAOHY-LLVKDONJSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582180724 1075890821 /nfs/dbraw/zinc/89/08/21/1075890821.db2.gz SPFVMSUTIPAOHY-NSHDSACASA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nc[nH]n1)NC[C@@H](CO)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582180724 1075890818 /nfs/dbraw/zinc/89/08/18/1075890818.db2.gz SPFVMSUTIPAOHY-NSHDSACASA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180842 1075890834 /nfs/dbraw/zinc/89/08/34/1075890834.db2.gz WTJVTZZGKPTLIK-LLVKDONJSA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nnc[nH]1)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001582180843 1075890905 /nfs/dbraw/zinc/89/09/05/1075890905.db2.gz WTJVTZZGKPTLIK-NSHDSACASA-N 1 2 375.368 -1.067 20 0 GAADLO O=C(Cc1nc[nH]n1)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001582181777 1075891169 /nfs/dbraw/zinc/89/11/69/1075891169.db2.gz HRLCPOYZNKVHHO-UHFFFAOYSA-N 1 2 383.420 -1.139 20 0 GAADLO O=C(Cc1nc[nH]n1)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582182007 1075891174 /nfs/dbraw/zinc/89/11/74/1075891174.db2.gz VWQHVARCMUIWCQ-UHFFFAOYSA-N 1 2 383.420 -1.139 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582182151 1075891303 /nfs/dbraw/zinc/89/13/03/1075891303.db2.gz BTRKKWOERFIXLF-INIZCTEOSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582182152 1075891228 /nfs/dbraw/zinc/89/12/28/1075891228.db2.gz BTRKKWOERFIXLF-MRXNPFEDSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582182270 1075891184 /nfs/dbraw/zinc/89/11/84/1075891184.db2.gz DWOKRICICNPXRI-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582182735 1075891237 /nfs/dbraw/zinc/89/12/37/1075891237.db2.gz JSSHFPIUUHRKHR-CMPLNLGQSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582182736 1075891219 /nfs/dbraw/zinc/89/12/19/1075891219.db2.gz JSSHFPIUUHRKHR-JQWIXIFHSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582182737 1075891157 /nfs/dbraw/zinc/89/11/57/1075891157.db2.gz JSSHFPIUUHRKHR-PWSUYJOCSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582182738 1075891695 /nfs/dbraw/zinc/89/16/95/1075891695.db2.gz JSSHFPIUUHRKHR-ZYHUDNBSSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582182746 1075891561 /nfs/dbraw/zinc/89/15/61/1075891561.db2.gz KASDRJVCKFKGOV-BXKDBHETSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582182747 1075891514 /nfs/dbraw/zinc/89/15/14/1075891514.db2.gz KASDRJVCKFKGOV-CABZTGNLSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582182748 1075891467 /nfs/dbraw/zinc/89/14/67/1075891467.db2.gz KASDRJVCKFKGOV-JOYOIKCWSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582182749 1075891445 /nfs/dbraw/zinc/89/14/45/1075891445.db2.gz KASDRJVCKFKGOV-SKDRFNHKSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582183008 1075891763 /nfs/dbraw/zinc/89/17/63/1075891763.db2.gz SLPISTUXURTVDY-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582183044 1075891662 /nfs/dbraw/zinc/89/16/62/1075891662.db2.gz TWRAPTFEWOFOBH-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582183166 1075891858 /nfs/dbraw/zinc/89/18/58/1075891858.db2.gz PTYMNBUIPYCLEF-CMPLNLGQSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582183167 1075891738 /nfs/dbraw/zinc/89/17/38/1075891738.db2.gz PTYMNBUIPYCLEF-JQWIXIFHSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582183168 1075891826 /nfs/dbraw/zinc/89/18/26/1075891826.db2.gz PTYMNBUIPYCLEF-PWSUYJOCSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582183169 1075891797 /nfs/dbraw/zinc/89/17/97/1075891797.db2.gz PTYMNBUIPYCLEF-ZYHUDNBSSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582183560 1075891612 /nfs/dbraw/zinc/89/16/12/1075891612.db2.gz YNXVJDXOTBICDQ-INIZCTEOSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582183561 1075891638 /nfs/dbraw/zinc/89/16/38/1075891638.db2.gz YNXVJDXOTBICDQ-MRXNPFEDSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001582185586 1075892454 /nfs/dbraw/zinc/89/24/54/1075892454.db2.gz NRGPWRHIVQCAMU-UHFFFAOYSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001582186082 1075892894 /nfs/dbraw/zinc/89/28/94/1075892894.db2.gz DVPSYNIPUSRASB-LLVKDONJSA-N 1 2 390.404 -1.502 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001582186083 1075892827 /nfs/dbraw/zinc/89/28/27/1075892827.db2.gz DVPSYNIPUSRASB-NSHDSACASA-N 1 2 390.404 -1.502 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001582186103 1075892856 /nfs/dbraw/zinc/89/28/56/1075892856.db2.gz FMMAPZSUDNLGEB-LLVKDONJSA-N 1 2 390.404 -1.690 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001582186104 1075892810 /nfs/dbraw/zinc/89/28/10/1075892810.db2.gz FMMAPZSUDNLGEB-NSHDSACASA-N 1 2 390.404 -1.690 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC001582186164 1075893201 /nfs/dbraw/zinc/89/32/01/1075893201.db2.gz HWCNWUUYXAPORW-GHMZBOCLSA-N 1 2 378.368 -1.226 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC001582186165 1075893335 /nfs/dbraw/zinc/89/33/35/1075893335.db2.gz HWCNWUUYXAPORW-MNOVXSKESA-N 1 2 378.368 -1.226 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001582186166 1075893381 /nfs/dbraw/zinc/89/33/81/1075893381.db2.gz HWCNWUUYXAPORW-QWRGUYRKSA-N 1 2 378.368 -1.226 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001582186167 1075893413 /nfs/dbraw/zinc/89/34/13/1075893413.db2.gz HWCNWUUYXAPORW-WDEREUQCSA-N 1 2 378.368 -1.226 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001582186289 1075893757 /nfs/dbraw/zinc/89/37/57/1075893757.db2.gz KVSZDIWTASYDIG-NEPJUHHUSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001582186290 1075893595 /nfs/dbraw/zinc/89/35/95/1075893595.db2.gz KVSZDIWTASYDIG-NWDGAFQWSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001582186291 1075893848 /nfs/dbraw/zinc/89/38/48/1075893848.db2.gz KVSZDIWTASYDIG-RYUDHWBXSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001582186292 1075893814 /nfs/dbraw/zinc/89/38/14/1075893814.db2.gz KVSZDIWTASYDIG-VXGBXAGGSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001582186381 1075893706 /nfs/dbraw/zinc/89/37/06/1075893706.db2.gz OFZPLJDRRSJKCE-UHFFFAOYSA-N 1 2 383.372 -1.127 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001582186401 1075894153 /nfs/dbraw/zinc/89/41/53/1075894153.db2.gz OQKXEDXYLSSVHR-GHMZBOCLSA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001582186401 1075894149 /nfs/dbraw/zinc/89/41/49/1075894149.db2.gz OQKXEDXYLSSVHR-GHMZBOCLSA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001582186402 1075894057 /nfs/dbraw/zinc/89/40/57/1075894057.db2.gz OQKXEDXYLSSVHR-MNOVXSKESA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001582186402 1075894052 /nfs/dbraw/zinc/89/40/52/1075894052.db2.gz OQKXEDXYLSSVHR-MNOVXSKESA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001582186403 1075894302 /nfs/dbraw/zinc/89/43/02/1075894302.db2.gz OQKXEDXYLSSVHR-QWRGUYRKSA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001582186403 1075894298 /nfs/dbraw/zinc/89/42/98/1075894298.db2.gz OQKXEDXYLSSVHR-QWRGUYRKSA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001582186404 1075894112 /nfs/dbraw/zinc/89/41/12/1075894112.db2.gz OQKXEDXYLSSVHR-WDEREUQCSA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001582186404 1075894109 /nfs/dbraw/zinc/89/41/09/1075894109.db2.gz OQKXEDXYLSSVHR-WDEREUQCSA-N 1 2 392.445 -1.175 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001582186465 1075894235 /nfs/dbraw/zinc/89/42/35/1075894235.db2.gz QVEANYVWJOYBOH-LLVKDONJSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001582186465 1075894229 /nfs/dbraw/zinc/89/42/29/1075894229.db2.gz QVEANYVWJOYBOH-LLVKDONJSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001582186466 1075894090 /nfs/dbraw/zinc/89/40/90/1075894090.db2.gz QVEANYVWJOYBOH-NSHDSACASA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001582186466 1075894088 /nfs/dbraw/zinc/89/40/88/1075894088.db2.gz QVEANYVWJOYBOH-NSHDSACASA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001582186554 1075894632 /nfs/dbraw/zinc/89/46/32/1075894632.db2.gz UFQXYDKLPPBWAZ-JTQLQIEISA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001582186555 1075894469 /nfs/dbraw/zinc/89/44/69/1075894469.db2.gz UFQXYDKLPPBWAZ-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001582186600 1075894602 /nfs/dbraw/zinc/89/46/02/1075894602.db2.gz VUKILABEFILMHS-VHSXEESVSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001582186600 1075894597 /nfs/dbraw/zinc/89/45/97/1075894597.db2.gz VUKILABEFILMHS-VHSXEESVSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001582187545 1075895001 /nfs/dbraw/zinc/89/50/01/1075895001.db2.gz GPDQJYRCMHSGPA-JTQLQIEISA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001582187545 1075894995 /nfs/dbraw/zinc/89/49/95/1075894995.db2.gz GPDQJYRCMHSGPA-JTQLQIEISA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001582187546 1075895070 /nfs/dbraw/zinc/89/50/70/1075895070.db2.gz GPDQJYRCMHSGPA-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001582187546 1075895066 /nfs/dbraw/zinc/89/50/66/1075895066.db2.gz GPDQJYRCMHSGPA-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001582187774 1075895506 /nfs/dbraw/zinc/89/55/06/1075895506.db2.gz RGNIJLVEYRSTQI-NXEZZACHSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001582187774 1075895502 /nfs/dbraw/zinc/89/55/02/1075895502.db2.gz RGNIJLVEYRSTQI-NXEZZACHSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001582187775 1075895334 /nfs/dbraw/zinc/89/53/34/1075895334.db2.gz RGNIJLVEYRSTQI-UWVGGRQHSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001582187775 1075895328 /nfs/dbraw/zinc/89/53/28/1075895328.db2.gz RGNIJLVEYRSTQI-UWVGGRQHSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001582187776 1075895478 /nfs/dbraw/zinc/89/54/78/1075895478.db2.gz RGNIJLVEYRSTQI-VHSXEESVSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001582187776 1075895474 /nfs/dbraw/zinc/89/54/74/1075895474.db2.gz RGNIJLVEYRSTQI-VHSXEESVSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001582187777 1075895630 /nfs/dbraw/zinc/89/56/30/1075895630.db2.gz RGNIJLVEYRSTQI-ZJUUUORDSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001582187777 1075895625 /nfs/dbraw/zinc/89/56/25/1075895625.db2.gz RGNIJLVEYRSTQI-ZJUUUORDSA-N 1 2 376.377 -1.892 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001582187785 1075895380 /nfs/dbraw/zinc/89/53/80/1075895380.db2.gz RRGRFMUOGBWVKA-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001582187804 1075895660 /nfs/dbraw/zinc/89/56/60/1075895660.db2.gz STDRIAFHRXWPAI-LLVKDONJSA-N 1 2 390.404 -1.502 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001582187804 1075895656 /nfs/dbraw/zinc/89/56/56/1075895656.db2.gz STDRIAFHRXWPAI-LLVKDONJSA-N 1 2 390.404 -1.502 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001582187805 1075895419 /nfs/dbraw/zinc/89/54/19/1075895419.db2.gz STDRIAFHRXWPAI-NSHDSACASA-N 1 2 390.404 -1.502 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001582187805 1075895417 /nfs/dbraw/zinc/89/54/17/1075895417.db2.gz STDRIAFHRXWPAI-NSHDSACASA-N 1 2 390.404 -1.502 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001582187866 1075895433 /nfs/dbraw/zinc/89/54/33/1075895433.db2.gz WEURCCULSGRCKE-JTQLQIEISA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001582187866 1075895430 /nfs/dbraw/zinc/89/54/30/1075895430.db2.gz WEURCCULSGRCKE-JTQLQIEISA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001582187867 1075895368 /nfs/dbraw/zinc/89/53/68/1075895368.db2.gz WEURCCULSGRCKE-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001582187867 1075895363 /nfs/dbraw/zinc/89/53/63/1075895363.db2.gz WEURCCULSGRCKE-SNVBAGLBSA-N 1 2 378.393 -1.908 20 0 GAADLO O=C(Cn1cccn1)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001582194546 1075897910 /nfs/dbraw/zinc/89/79/10/1075897910.db2.gz MVJZRKWPVOLHQX-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cccn1)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582194673 1075897859 /nfs/dbraw/zinc/89/78/59/1075897859.db2.gz RIOYYKUOMOFBIT-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cccn1)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001582194679 1075897964 /nfs/dbraw/zinc/89/79/64/1075897964.db2.gz RUXITPUTRUHHEL-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cccn1)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001582194707 1075897696 /nfs/dbraw/zinc/89/76/96/1075897696.db2.gz SYJOBKCBOIAGAE-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cccn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001582194775 1075897809 /nfs/dbraw/zinc/89/78/09/1075897809.db2.gz VHTSTEDYQQMNGC-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cc[nH+]c1)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582195923 1075898275 /nfs/dbraw/zinc/89/82/75/1075898275.db2.gz BWPUEBLQWAODDP-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582196454 1075898179 /nfs/dbraw/zinc/89/81/79/1075898179.db2.gz KSIZOMZMYVKNDL-GWCFXTLKSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582196455 1075898422 /nfs/dbraw/zinc/89/84/22/1075898422.db2.gz KSIZOMZMYVKNDL-GXFFZTMASA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001582196456 1075898160 /nfs/dbraw/zinc/89/81/60/1075898160.db2.gz KSIZOMZMYVKNDL-MFKMUULPSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O ZINC001582196457 1075898248 /nfs/dbraw/zinc/89/82/48/1075898248.db2.gz KSIZOMZMYVKNDL-ZWNOBZJWSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582196503 1075898383 /nfs/dbraw/zinc/89/83/83/1075898383.db2.gz MJTBSGKGOIKJEN-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582196519 1075898229 /nfs/dbraw/zinc/89/82/29/1075898229.db2.gz MQEGXSHQQLKQJM-AAEUAGOBSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582196520 1075898356 /nfs/dbraw/zinc/89/83/56/1075898356.db2.gz MQEGXSHQQLKQJM-DGCLKSJQSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001582196521 1075898300 /nfs/dbraw/zinc/89/83/00/1075898300.db2.gz MQEGXSHQQLKQJM-WCQYABFASA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O ZINC001582196522 1075898316 /nfs/dbraw/zinc/89/83/16/1075898316.db2.gz MQEGXSHQQLKQJM-YPMHNXCESA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582196567 1075898472 /nfs/dbraw/zinc/89/84/72/1075898472.db2.gz NZUNECOPDSPZEK-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582196637 1075898535 /nfs/dbraw/zinc/89/85/35/1075898535.db2.gz QEVAEJMPXXXRDX-AAEUAGOBSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582196638 1075898499 /nfs/dbraw/zinc/89/84/99/1075898499.db2.gz QEVAEJMPXXXRDX-DGCLKSJQSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582196639 1075898215 /nfs/dbraw/zinc/89/82/15/1075898215.db2.gz QEVAEJMPXXXRDX-WCQYABFASA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582196640 1075898449 /nfs/dbraw/zinc/89/84/49/1075898449.db2.gz QEVAEJMPXXXRDX-YPMHNXCESA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582197348 1075898518 /nfs/dbraw/zinc/89/85/18/1075898518.db2.gz LLTKEJMQBJCLGC-INIZCTEOSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582197349 1075898402 /nfs/dbraw/zinc/89/84/02/1075898402.db2.gz LLTKEJMQBJCLGC-MRXNPFEDSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582197836 1075898821 /nfs/dbraw/zinc/89/88/21/1075898821.db2.gz ZPJDXZWIIWYJGP-INIZCTEOSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582197838 1075898904 /nfs/dbraw/zinc/89/89/04/1075898904.db2.gz ZPJDXZWIIWYJGP-MRXNPFEDSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001582198221 1075898851 /nfs/dbraw/zinc/89/88/51/1075898851.db2.gz QSLAGGZHELSLDH-UHFFFAOYSA-N 1 2 377.409 -1.856 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001582201503 1075902456 /nfs/dbraw/zinc/90/24/56/1075902456.db2.gz BHZCGUKGOHTYBD-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001582201561 1075902297 /nfs/dbraw/zinc/90/22/97/1075902297.db2.gz FWZXRGWKHPQGFJ-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1cncn1)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582201610 1075902247 /nfs/dbraw/zinc/90/22/47/1075902247.db2.gz IBFIPXIVHTXNLS-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001582201626 1075902503 /nfs/dbraw/zinc/90/25/03/1075902503.db2.gz JBQORGDRZXGOBR-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001582201626 1075902498 /nfs/dbraw/zinc/90/24/98/1075902498.db2.gz JBQORGDRZXGOBR-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001582201627 1075902415 /nfs/dbraw/zinc/90/24/15/1075902415.db2.gz JBQORGDRZXGOBR-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001582201627 1075902410 /nfs/dbraw/zinc/90/24/10/1075902410.db2.gz JBQORGDRZXGOBR-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001582201673 1075902480 /nfs/dbraw/zinc/90/24/80/1075902480.db2.gz KLKHXTRUCIOQFH-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582201756 1075902707 /nfs/dbraw/zinc/90/27/07/1075902707.db2.gz OTZUQIOAWYPEOS-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582201756 1075902702 /nfs/dbraw/zinc/90/27/02/1075902702.db2.gz OTZUQIOAWYPEOS-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582201757 1075902744 /nfs/dbraw/zinc/90/27/44/1075902744.db2.gz OTZUQIOAWYPEOS-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582201757 1075902740 /nfs/dbraw/zinc/90/27/40/1075902740.db2.gz OTZUQIOAWYPEOS-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001582201775 1075902938 /nfs/dbraw/zinc/90/29/38/1075902938.db2.gz PRCJOYYFIYOBTC-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001582201784 1075902775 /nfs/dbraw/zinc/90/27/75/1075902775.db2.gz QBWXHWGFHNLFEH-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001582201798 1075902868 /nfs/dbraw/zinc/90/28/68/1075902868.db2.gz RBDYCQVZLSBVFE-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001582201867 1075902831 /nfs/dbraw/zinc/90/28/31/1075902831.db2.gz WHRNRTLJWDPVBN-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001582201867 1075902826 /nfs/dbraw/zinc/90/28/26/1075902826.db2.gz WHRNRTLJWDPVBN-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001582201868 1075902641 /nfs/dbraw/zinc/90/26/41/1075902641.db2.gz WHRNRTLJWDPVBN-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001582201868 1075902635 /nfs/dbraw/zinc/90/26/35/1075902635.db2.gz WHRNRTLJWDPVBN-ZIAGYGMSSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001582201923 1075902804 /nfs/dbraw/zinc/90/28/04/1075902804.db2.gz ZEDRCRXVHRHCMK-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cnnn1)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582202142 1075903902 /nfs/dbraw/zinc/90/39/02/1075903902.db2.gz IUQCEUNSNDWSPW-UHFFFAOYSA-N 1 2 384.404 -1.394 20 0 GAADLO O=C(Cn1cnnn1)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582202474 1075905128 /nfs/dbraw/zinc/90/51/28/1075905128.db2.gz YATXPHGEJTYFPP-UHFFFAOYSA-N 1 2 384.404 -1.394 20 0 GAADLO O=C(Cn1cnnn1)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582202527 1075905705 /nfs/dbraw/zinc/90/57/05/1075905705.db2.gz ZXAYYTHZACBOEG-UHFFFAOYSA-N 1 2 384.404 -1.394 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582202998 1075905688 /nfs/dbraw/zinc/90/56/88/1075905688.db2.gz GPYJDMFTHFAUEE-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582202998 1075905682 /nfs/dbraw/zinc/90/56/82/1075905682.db2.gz GPYJDMFTHFAUEE-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582203137 1075905792 /nfs/dbraw/zinc/90/57/92/1075905792.db2.gz IPGJGZCIEXDANK-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1cnnn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001582203389 1075906365 /nfs/dbraw/zinc/90/63/65/1075906365.db2.gz OYLGHHFZLAJNHW-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582203404 1075906470 /nfs/dbraw/zinc/90/64/70/1075906470.db2.gz PNLHFAQHQYASRY-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582203404 1075906468 /nfs/dbraw/zinc/90/64/68/1075906468.db2.gz PNLHFAQHQYASRY-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582203405 1075906412 /nfs/dbraw/zinc/90/64/12/1075906412.db2.gz PNLHFAQHQYASRY-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001582203405 1075906408 /nfs/dbraw/zinc/90/64/08/1075906408.db2.gz PNLHFAQHQYASRY-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001582203599 1075906271 /nfs/dbraw/zinc/90/62/71/1075906271.db2.gz UNJUUYZARROGNI-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001582203599 1075906263 /nfs/dbraw/zinc/90/62/63/1075906263.db2.gz UNJUUYZARROGNI-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001582203600 1075906455 /nfs/dbraw/zinc/90/64/55/1075906455.db2.gz UNJUUYZARROGNI-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001582203600 1075906452 /nfs/dbraw/zinc/90/64/52/1075906452.db2.gz UNJUUYZARROGNI-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001582203787 1075906489 /nfs/dbraw/zinc/90/64/89/1075906489.db2.gz WTNHCZKVEBXTPU-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001582203787 1075906486 /nfs/dbraw/zinc/90/64/86/1075906486.db2.gz WTNHCZKVEBXTPU-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001582203788 1075906303 /nfs/dbraw/zinc/90/63/03/1075906303.db2.gz WTNHCZKVEBXTPU-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001582203788 1075906296 /nfs/dbraw/zinc/90/62/96/1075906296.db2.gz WTNHCZKVEBXTPU-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001582203830 1075906391 /nfs/dbraw/zinc/90/63/91/1075906391.db2.gz YXFKWMVXNSBEKB-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001582203830 1075906388 /nfs/dbraw/zinc/90/63/88/1075906388.db2.gz YXFKWMVXNSBEKB-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001582203831 1075906196 /nfs/dbraw/zinc/90/61/96/1075906196.db2.gz YXFKWMVXNSBEKB-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O ZINC001582203831 1075906189 /nfs/dbraw/zinc/90/61/89/1075906189.db2.gz YXFKWMVXNSBEKB-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582204319 1075907770 /nfs/dbraw/zinc/90/77/70/1075907770.db2.gz ISQNZGLWAOBJRS-CYBMUJFWSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582204319 1075907765 /nfs/dbraw/zinc/90/77/65/1075907765.db2.gz ISQNZGLWAOBJRS-CYBMUJFWSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582204320 1075907658 /nfs/dbraw/zinc/90/76/58/1075907658.db2.gz ISQNZGLWAOBJRS-ZDUSSCGKSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582204320 1075907654 /nfs/dbraw/zinc/90/76/54/1075907654.db2.gz ISQNZGLWAOBJRS-ZDUSSCGKSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001582204679 1075909178 /nfs/dbraw/zinc/90/91/78/1075909178.db2.gz QNFMGWCSZBXUGI-AWEZNQCLSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001582204679 1075909172 /nfs/dbraw/zinc/90/91/72/1075909172.db2.gz QNFMGWCSZBXUGI-AWEZNQCLSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001582204680 1075909101 /nfs/dbraw/zinc/90/91/01/1075909101.db2.gz QNFMGWCSZBXUGI-CQSZACIVSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001582204680 1075909097 /nfs/dbraw/zinc/90/90/97/1075909097.db2.gz QNFMGWCSZBXUGI-CQSZACIVSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582204750 1075909208 /nfs/dbraw/zinc/90/92/08/1075909208.db2.gz SDAXBCXJYYXKPO-AWEZNQCLSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582204750 1075909202 /nfs/dbraw/zinc/90/92/02/1075909202.db2.gz SDAXBCXJYYXKPO-AWEZNQCLSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582204751 1075909129 /nfs/dbraw/zinc/90/91/29/1075909129.db2.gz SDAXBCXJYYXKPO-CQSZACIVSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1cnnn1)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582204751 1075909122 /nfs/dbraw/zinc/90/91/22/1075909122.db2.gz SDAXBCXJYYXKPO-CQSZACIVSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582205747 1075912535 /nfs/dbraw/zinc/91/25/35/1075912535.db2.gz GNTIVTPYAFRULG-UHFFFAOYSA-N 1 2 384.404 -1.394 20 0 GAADLO O=C(Cn1ncnn1)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582205891 1075912902 /nfs/dbraw/zinc/91/29/02/1075912902.db2.gz LCZIRPVOTHORSL-UHFFFAOYSA-N 1 2 384.404 -1.394 20 0 GAADLO O=C(Cn1ncnn1)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582206196 1075913543 /nfs/dbraw/zinc/91/35/43/1075913543.db2.gz NGNWINIWZINNMA-UHFFFAOYSA-N 1 2 384.404 -1.394 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001582207213 1075914762 /nfs/dbraw/zinc/91/47/62/1075914762.db2.gz CALTUHOJRZTEQM-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O ZINC001582207213 1075914758 /nfs/dbraw/zinc/91/47/58/1075914758.db2.gz CALTUHOJRZTEQM-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001582207327 1075914843 /nfs/dbraw/zinc/91/48/43/1075914843.db2.gz KLKSQJRGHAUEAK-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1ncnn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001582207341 1075914794 /nfs/dbraw/zinc/91/47/94/1075914794.db2.gz LESCUUQIWRNHKR-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582207423 1075915302 /nfs/dbraw/zinc/91/53/02/1075915302.db2.gz OFGLWRUKGCTTDC-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001582207423 1075915299 /nfs/dbraw/zinc/91/52/99/1075915299.db2.gz OFGLWRUKGCTTDC-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001582207461 1075915352 /nfs/dbraw/zinc/91/53/52/1075915352.db2.gz QHDWPEWEBYDHSS-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001582207461 1075915348 /nfs/dbraw/zinc/91/53/48/1075915348.db2.gz QHDWPEWEBYDHSS-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582207462 1075915318 /nfs/dbraw/zinc/91/53/18/1075915318.db2.gz QHDWPEWEBYDHSS-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O ZINC001582207462 1075915314 /nfs/dbraw/zinc/91/53/14/1075915314.db2.gz QHDWPEWEBYDHSS-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582207490 1075915377 /nfs/dbraw/zinc/91/53/77/1075915377.db2.gz RSSGYFJURKFFGY-NXEZZACHSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001582207490 1075915376 /nfs/dbraw/zinc/91/53/76/1075915376.db2.gz RSSGYFJURKFFGY-NXEZZACHSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582207491 1075915398 /nfs/dbraw/zinc/91/53/98/1075915398.db2.gz RSSGYFJURKFFGY-ZJUUUORDSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001582207491 1075915393 /nfs/dbraw/zinc/91/53/93/1075915393.db2.gz RSSGYFJURKFFGY-ZJUUUORDSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582207514 1075915412 /nfs/dbraw/zinc/91/54/12/1075915412.db2.gz SQEKFJLTPOPZSL-AWEZNQCLSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582207514 1075915410 /nfs/dbraw/zinc/91/54/10/1075915410.db2.gz SQEKFJLTPOPZSL-AWEZNQCLSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582207515 1075915240 /nfs/dbraw/zinc/91/52/40/1075915240.db2.gz SQEKFJLTPOPZSL-CQSZACIVSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001582207515 1075915237 /nfs/dbraw/zinc/91/52/37/1075915237.db2.gz SQEKFJLTPOPZSL-CQSZACIVSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582207556 1075915903 /nfs/dbraw/zinc/91/59/03/1075915903.db2.gz VCLBKYYFEXWAIQ-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cn1ncnn1)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582207563 1075915924 /nfs/dbraw/zinc/91/59/24/1075915924.db2.gz VLOBKDJFXPATOU-CYBMUJFWSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582207563 1075915918 /nfs/dbraw/zinc/91/59/18/1075915918.db2.gz VLOBKDJFXPATOU-CYBMUJFWSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582207564 1075915741 /nfs/dbraw/zinc/91/57/41/1075915741.db2.gz VLOBKDJFXPATOU-ZDUSSCGKSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001582207564 1075915737 /nfs/dbraw/zinc/91/57/37/1075915737.db2.gz VLOBKDJFXPATOU-ZDUSSCGKSA-N 1 2 384.404 -1.130 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001582207615 1075915888 /nfs/dbraw/zinc/91/58/88/1075915888.db2.gz XPFNVEAHAUNYDB-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001582207615 1075915881 /nfs/dbraw/zinc/91/58/81/1075915881.db2.gz XPFNVEAHAUNYDB-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001582207624 1075915992 /nfs/dbraw/zinc/91/59/92/1075915992.db2.gz XWEXMQBEHOBSLG-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582232026 1075918125 /nfs/dbraw/zinc/91/81/25/1075918125.db2.gz IDUBJSXFJOOUKR-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582232906 1075918416 /nfs/dbraw/zinc/91/84/16/1075918416.db2.gz PMQMHVCLWDVVKW-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582232981 1075918657 /nfs/dbraw/zinc/91/86/57/1075918657.db2.gz QKJNRBXXBYBEHO-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582233053 1075918559 /nfs/dbraw/zinc/91/85/59/1075918559.db2.gz RBRMELJRHOHNGB-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582233341 1075918837 /nfs/dbraw/zinc/91/88/37/1075918837.db2.gz SPXYHRQWUCRRDN-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582233420 1075919326 /nfs/dbraw/zinc/91/93/26/1075919326.db2.gz VWUHCOCKYVGRFE-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582233503 1075919507 /nfs/dbraw/zinc/91/95/07/1075919507.db2.gz ZKEQKDUTKZHCIZ-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(C[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCC1 ZINC001582241272 1075920378 /nfs/dbraw/zinc/92/03/78/1075920378.db2.gz ATSNFVLSTWLSMN-KRWDZBQOSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCC1 ZINC001582241272 1075920374 /nfs/dbraw/zinc/92/03/74/1075920374.db2.gz ATSNFVLSTWLSMN-KRWDZBQOSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCC1 ZINC001582241273 1075920423 /nfs/dbraw/zinc/92/04/23/1075920423.db2.gz ATSNFVLSTWLSMN-QGZVFWFLSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCC1 ZINC001582241273 1075920418 /nfs/dbraw/zinc/92/04/18/1075920418.db2.gz ATSNFVLSTWLSMN-QGZVFWFLSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCC1 ZINC001582242470 1075920289 /nfs/dbraw/zinc/92/02/89/1075920289.db2.gz SQJYZMDFYPLSNU-KRWDZBQOSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCC1 ZINC001582242470 1075920285 /nfs/dbraw/zinc/92/02/85/1075920285.db2.gz SQJYZMDFYPLSNU-KRWDZBQOSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCC1 ZINC001582242471 1075920345 /nfs/dbraw/zinc/92/03/45/1075920345.db2.gz SQJYZMDFYPLSNU-QGZVFWFLSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)N1CCC1 ZINC001582242471 1075920340 /nfs/dbraw/zinc/92/03/40/1075920340.db2.gz SQJYZMDFYPLSNU-QGZVFWFLSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCC1 ZINC001582242896 1075920803 /nfs/dbraw/zinc/92/08/03/1075920803.db2.gz YIADMDDXWNVKCY-KRWDZBQOSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCC1 ZINC001582242896 1075920796 /nfs/dbraw/zinc/92/07/96/1075920796.db2.gz YIADMDDXWNVKCY-KRWDZBQOSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCC1 ZINC001582242897 1075920694 /nfs/dbraw/zinc/92/06/94/1075920694.db2.gz YIADMDDXWNVKCY-QGZVFWFLSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(C[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCC1 ZINC001582242897 1075920691 /nfs/dbraw/zinc/92/06/91/1075920691.db2.gz YIADMDDXWNVKCY-QGZVFWFLSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303231 1075923553 /nfs/dbraw/zinc/92/35/53/1075923553.db2.gz GJDNNEXOTGULAR-AAEUAGOBSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303233 1075923476 /nfs/dbraw/zinc/92/34/76/1075923476.db2.gz GJDNNEXOTGULAR-DGCLKSJQSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303235 1075923435 /nfs/dbraw/zinc/92/34/35/1075923435.db2.gz GJDNNEXOTGULAR-WCQYABFASA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303237 1075923796 /nfs/dbraw/zinc/92/37/96/1075923796.db2.gz GJDNNEXOTGULAR-YPMHNXCESA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303382 1075923763 /nfs/dbraw/zinc/92/37/63/1075923763.db2.gz IAHVZNRFJNZBEF-AAEUAGOBSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303383 1075923773 /nfs/dbraw/zinc/92/37/73/1075923773.db2.gz IAHVZNRFJNZBEF-DGCLKSJQSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303384 1075923986 /nfs/dbraw/zinc/92/39/86/1075923986.db2.gz IAHVZNRFJNZBEF-WCQYABFASA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303385 1075923874 /nfs/dbraw/zinc/92/38/74/1075923874.db2.gz IAHVZNRFJNZBEF-YPMHNXCESA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303529 1075923896 /nfs/dbraw/zinc/92/38/96/1075923896.db2.gz MAXXGUAGFMGJHH-AAEUAGOBSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303530 1075924438 /nfs/dbraw/zinc/92/44/38/1075924438.db2.gz MAXXGUAGFMGJHH-DGCLKSJQSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303531 1075924476 /nfs/dbraw/zinc/92/44/76/1075924476.db2.gz MAXXGUAGFMGJHH-WCQYABFASA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303532 1075924399 /nfs/dbraw/zinc/92/43/99/1075924399.db2.gz MAXXGUAGFMGJHH-YPMHNXCESA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303727 1075924455 /nfs/dbraw/zinc/92/44/55/1075924455.db2.gz RDGBARXZRYIVMQ-CMPLNLGQSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303728 1075924499 /nfs/dbraw/zinc/92/44/99/1075924499.db2.gz RDGBARXZRYIVMQ-JQWIXIFHSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582303729 1075924416 /nfs/dbraw/zinc/92/44/16/1075924416.db2.gz RDGBARXZRYIVMQ-PWSUYJOCSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001582303730 1075924368 /nfs/dbraw/zinc/92/43/68/1075924368.db2.gz RDGBARXZRYIVMQ-ZYHUDNBSSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303950 1075924925 /nfs/dbraw/zinc/92/49/25/1075924925.db2.gz YGWBJDHZUFTIQM-CMPLNLGQSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303951 1075924985 /nfs/dbraw/zinc/92/49/85/1075924985.db2.gz YGWBJDHZUFTIQM-JQWIXIFHSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582303952 1075924968 /nfs/dbraw/zinc/92/49/68/1075924968.db2.gz YGWBJDHZUFTIQM-PWSUYJOCSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 ZINC001582303953 1075924793 /nfs/dbraw/zinc/92/47/93/1075924793.db2.gz YGWBJDHZUFTIQM-ZYHUDNBSSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303990 1075924936 /nfs/dbraw/zinc/92/49/36/1075924936.db2.gz ZJNMYAFKVGZMCI-GWCFXTLKSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303991 1075924865 /nfs/dbraw/zinc/92/48/65/1075924865.db2.gz ZJNMYAFKVGZMCI-GXFFZTMASA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582303992 1075924835 /nfs/dbraw/zinc/92/48/35/1075924835.db2.gz ZJNMYAFKVGZMCI-MFKMUULPSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582303993 1075924819 /nfs/dbraw/zinc/92/48/19/1075924819.db2.gz ZJNMYAFKVGZMCI-ZWNOBZJWSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582304026 1075924916 /nfs/dbraw/zinc/92/49/16/1075924916.db2.gz ZXCITXGBLAUOOT-GWCFXTLKSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582304027 1075925525 /nfs/dbraw/zinc/92/55/25/1075925525.db2.gz ZXCITXGBLAUOOT-GXFFZTMASA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582304028 1075925432 /nfs/dbraw/zinc/92/54/32/1075925432.db2.gz ZXCITXGBLAUOOT-MFKMUULPSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 ZINC001582304029 1075925390 /nfs/dbraw/zinc/92/53/90/1075925390.db2.gz ZXCITXGBLAUOOT-ZWNOBZJWSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001582333461 1075934573 /nfs/dbraw/zinc/93/45/73/1075934573.db2.gz BRMAYHVEIKLMJG-CYBMUJFWSA-N 1 2 377.430 -1.141 20 0 GAADLO O=C(NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001582333462 1075934553 /nfs/dbraw/zinc/93/45/53/1075934553.db2.gz BRMAYHVEIKLMJG-ZDUSSCGKSA-N 1 2 377.430 -1.141 20 0 GAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ncnn1CCF)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582344170 1075937467 /nfs/dbraw/zinc/93/74/67/1075937467.db2.gz DRVIQBPLTROGEE-JTQLQIEISA-N 1 2 378.372 -1.364 20 0 GAADLO O=C(NC[C@H](CO)[NH2+]Cc1ncnn1CCF)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582344171 1075937511 /nfs/dbraw/zinc/93/75/11/1075937511.db2.gz DRVIQBPLTROGEE-SNVBAGLBSA-N 1 2 378.372 -1.364 20 0 GAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ncnn1CCF)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582344274 1075937417 /nfs/dbraw/zinc/93/74/17/1075937417.db2.gz HJEWQCVLNYSASR-JTQLQIEISA-N 1 2 378.372 -1.364 20 0 GAADLO O=C(NC[C@H](CO)[NH2+]Cc1ncnn1CCF)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582344275 1075937438 /nfs/dbraw/zinc/93/74/38/1075937438.db2.gz HJEWQCVLNYSASR-SNVBAGLBSA-N 1 2 378.372 -1.364 20 0 GAADLO O=C(NC[C@H](CO)[NH2+]Cc1ncnn1CCF)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582344524 1075937529 /nfs/dbraw/zinc/93/75/29/1075937529.db2.gz MJIQBBFNSLJEQC-SECBINFHSA-N 1 2 378.372 -1.364 20 0 GAADLO O=C(NC[C@@H](CO)[NH2+]Cc1ncnn1CCF)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582344525 1075937553 /nfs/dbraw/zinc/93/75/53/1075937553.db2.gz MJIQBBFNSLJEQC-VIFPVBQESA-N 1 2 378.372 -1.364 20 0 GAADLO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2n[nH]nc21 ZINC001582350170 1075939612 /nfs/dbraw/zinc/93/96/12/1075939612.db2.gz RCZPAQKXBHYZRR-NXEZZACHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2nn[nH]c21 ZINC001582350170 1075939609 /nfs/dbraw/zinc/93/96/09/1075939609.db2.gz RCZPAQKXBHYZRR-NXEZZACHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2n[nH]nc21 ZINC001582350171 1075939589 /nfs/dbraw/zinc/93/95/89/1075939589.db2.gz RCZPAQKXBHYZRR-UWVGGRQHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2nn[nH]c21 ZINC001582350171 1075939585 /nfs/dbraw/zinc/93/95/85/1075939585.db2.gz RCZPAQKXBHYZRR-UWVGGRQHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2n[nH]nc21 ZINC001582350172 1075939918 /nfs/dbraw/zinc/93/99/18/1075939918.db2.gz RCZPAQKXBHYZRR-VHSXEESVSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2nn[nH]c21 ZINC001582350172 1075939915 /nfs/dbraw/zinc/93/99/15/1075939915.db2.gz RCZPAQKXBHYZRR-VHSXEESVSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2n[nH]nc21 ZINC001582350173 1075940124 /nfs/dbraw/zinc/94/01/24/1075940124.db2.gz RCZPAQKXBHYZRR-ZJUUUORDSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2nn[nH]c21 ZINC001582350173 1075940120 /nfs/dbraw/zinc/94/01/20/1075940120.db2.gz RCZPAQKXBHYZRR-ZJUUUORDSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2n[nH]nc21 ZINC001582377894 1075947183 /nfs/dbraw/zinc/94/71/83/1075947183.db2.gz SSSMQOYPVKASDR-NXEZZACHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2nn[nH]c21 ZINC001582377894 1075947178 /nfs/dbraw/zinc/94/71/78/1075947178.db2.gz SSSMQOYPVKASDR-NXEZZACHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2n[nH]nc21 ZINC001582377896 1075947063 /nfs/dbraw/zinc/94/70/63/1075947063.db2.gz SSSMQOYPVKASDR-UWVGGRQHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2nn[nH]c21 ZINC001582377896 1075947057 /nfs/dbraw/zinc/94/70/57/1075947057.db2.gz SSSMQOYPVKASDR-UWVGGRQHSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2n[nH]nc21 ZINC001582377898 1075947259 /nfs/dbraw/zinc/94/72/59/1075947259.db2.gz SSSMQOYPVKASDR-VHSXEESVSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCc2nn[nH]c21 ZINC001582377898 1075947254 /nfs/dbraw/zinc/94/72/54/1075947254.db2.gz SSSMQOYPVKASDR-VHSXEESVSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2n[nH]nc21 ZINC001582377900 1075947293 /nfs/dbraw/zinc/94/72/93/1075947293.db2.gz SSSMQOYPVKASDR-ZJUUUORDSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCc2nn[nH]c21 ZINC001582377900 1075947288 /nfs/dbraw/zinc/94/72/88/1075947288.db2.gz SSSMQOYPVKASDR-ZJUUUORDSA-N 1 2 384.404 -1.189 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405480 1075950384 /nfs/dbraw/zinc/95/03/84/1075950384.db2.gz LGMBVQJWHZOABB-INIZCTEOSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405481 1075950653 /nfs/dbraw/zinc/95/06/53/1075950653.db2.gz LGMBVQJWHZOABB-MRXNPFEDSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405528 1075950458 /nfs/dbraw/zinc/95/04/58/1075950458.db2.gz MAZFVGZVPWOPOM-INIZCTEOSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405618 1075950635 /nfs/dbraw/zinc/95/06/35/1075950635.db2.gz MAZFVGZVPWOPOM-MRXNPFEDSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405634 1075950442 /nfs/dbraw/zinc/95/04/42/1075950442.db2.gz MMYDREQQFWIYEI-INIZCTEOSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405635 1075950912 /nfs/dbraw/zinc/95/09/12/1075950912.db2.gz MMYDREQQFWIYEI-MRXNPFEDSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405814 1075951347 /nfs/dbraw/zinc/95/13/47/1075951347.db2.gz RBEXOCRNILCENR-INIZCTEOSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1[nH]cc[nH+]1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582405815 1075951442 /nfs/dbraw/zinc/95/14/42/1075951442.db2.gz RBEXOCRNILCENR-MRXNPFEDSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582405879 1075951328 /nfs/dbraw/zinc/95/13/28/1075951328.db2.gz UDUSAODHCLUYSY-INIZCTEOSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cn1cc[nH+]c1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582405880 1075951299 /nfs/dbraw/zinc/95/12/99/1075951299.db2.gz UDUSAODHCLUYSY-MRXNPFEDSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405890 1075951430 /nfs/dbraw/zinc/95/14/30/1075951430.db2.gz UKFAYCZWYLYJSR-INIZCTEOSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(Cc1c[nH+]c[nH]1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582405891 1075951404 /nfs/dbraw/zinc/95/14/04/1075951404.db2.gz UKFAYCZWYLYJSR-MRXNPFEDSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582410748 1075955686 /nfs/dbraw/zinc/95/56/86/1075955686.db2.gz BBGHPNQOZVOPQS-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582410768 1075955673 /nfs/dbraw/zinc/95/56/73/1075955673.db2.gz BMEUSDOLEZYDSW-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582411003 1075956145 /nfs/dbraw/zinc/95/61/45/1075956145.db2.gz JCFKBJQWQJZYQF-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582411003 1075956144 /nfs/dbraw/zinc/95/61/44/1075956144.db2.gz JCFKBJQWQJZYQF-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582411006 1075956566 /nfs/dbraw/zinc/95/65/66/1075956566.db2.gz JKUUKQOZCBPIPK-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582411006 1075956562 /nfs/dbraw/zinc/95/65/62/1075956562.db2.gz JKUUKQOZCBPIPK-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582411028 1075956631 /nfs/dbraw/zinc/95/66/31/1075956631.db2.gz KCFKLZVTELYGME-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582411054 1075956474 /nfs/dbraw/zinc/95/64/74/1075956474.db2.gz LCGMCWAOZSTQDK-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582411130 1075957135 /nfs/dbraw/zinc/95/71/35/1075957135.db2.gz NNNXMUDHBCINAG-UHFFFAOYSA-N 1 2 385.388 -1.146 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582411265 1075957180 /nfs/dbraw/zinc/95/71/80/1075957180.db2.gz SQRHJRHFRFJNSN-UHFFFAOYSA-N 1 2 385.388 -1.215 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@H]2CCc3ncnn32)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582411762 1075958047 /nfs/dbraw/zinc/95/80/47/1075958047.db2.gz ALWZRZZZWUBXIX-LLVKDONJSA-N 1 2 384.404 -1.250 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@@H]2CCc3ncnn32)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582411763 1075958004 /nfs/dbraw/zinc/95/80/04/1075958004.db2.gz ALWZRZZZWUBXIX-NSHDSACASA-N 1 2 384.404 -1.250 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582411844 1075958159 /nfs/dbraw/zinc/95/81/59/1075958159.db2.gz DBGZBMSDBCUZKZ-LLVKDONJSA-N 1 2 387.404 -1.771 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@H](O)Cn2cccn2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582411845 1075958179 /nfs/dbraw/zinc/95/81/79/1075958179.db2.gz DBGZBMSDBCUZKZ-NSHDSACASA-N 1 2 387.404 -1.771 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582411992 1075958110 /nfs/dbraw/zinc/95/81/10/1075958110.db2.gz GDVXHNCKGOWMAM-GFCCVEGCSA-N 1 2 387.404 -1.771 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@H](O)Cn2cccn2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582411993 1075958064 /nfs/dbraw/zinc/95/80/64/1075958064.db2.gz GDVXHNCKGOWMAM-LBPRGKRZSA-N 1 2 387.404 -1.771 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@H]2CCc3ncnn32)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582412035 1075958709 /nfs/dbraw/zinc/95/87/09/1075958709.db2.gz IGMHYFBHTJRSPH-LLVKDONJSA-N 1 2 384.404 -1.250 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@@H]2CCc3ncnn32)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582412037 1075958595 /nfs/dbraw/zinc/95/85/95/1075958595.db2.gz IGMHYFBHTJRSPH-NSHDSACASA-N 1 2 384.404 -1.250 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582412226 1075958482 /nfs/dbraw/zinc/95/84/82/1075958482.db2.gz KBIHKIVOPDSBOI-GFCCVEGCSA-N 1 2 387.404 -1.771 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@H](O)Cn2cccn2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582412228 1075958770 /nfs/dbraw/zinc/95/87/70/1075958770.db2.gz KBIHKIVOPDSBOI-LBPRGKRZSA-N 1 2 387.404 -1.771 20 0 GAADLO O=C(NCC1(O)C[NH+](CCCN2CCCC2=O)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001582412236 1075958448 /nfs/dbraw/zinc/95/84/48/1075958448.db2.gz KFKKCSZTGVVPAI-UHFFFAOYSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(NCC1(O)C[NH+](CCCN2CCCC2=O)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582412914 1075959551 /nfs/dbraw/zinc/95/95/51/1075959551.db2.gz ZEALKVXURIVKSH-UHFFFAOYSA-N 1 2 388.432 -1.016 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@@H]2CCc3ncnn32)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582412922 1075959605 /nfs/dbraw/zinc/95/96/05/1075959605.db2.gz ZQCDLNZOXWRBAV-JTQLQIEISA-N 1 2 384.404 -1.250 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@H]2CCc3ncnn32)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582412923 1075959684 /nfs/dbraw/zinc/95/96/84/1075959684.db2.gz ZQCDLNZOXWRBAV-SNVBAGLBSA-N 1 2 384.404 -1.250 20 0 GAADLO O=C(NCC[NH+]1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1cnon1 ZINC001582516987 1075971356 /nfs/dbraw/zinc/97/13/56/1075971356.db2.gz AVWHHVIWCSMXTH-UHFFFAOYSA-N 1 2 385.392 -1.232 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)c1ccnnc1 ZINC001582519006 1075971873 /nfs/dbraw/zinc/97/18/73/1075971873.db2.gz NZRJHWAPDMJQKP-UHFFFAOYSA-N 1 2 381.404 -1.001 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@]12C[C@H]1COC2 ZINC001582519085 1075971891 /nfs/dbraw/zinc/97/18/91/1075971891.db2.gz RLBXQUUPMZKLCT-SJCJKPOMSA-N 1 2 385.432 -1.069 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001582519102 1075971832 /nfs/dbraw/zinc/97/18/32/1075971832.db2.gz SABXDHYRNSZDNR-JYAVWHMHSA-N 1 2 385.432 -1.213 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@H]1COCCO1 ZINC001582519129 1075971952 /nfs/dbraw/zinc/97/19/52/1075971952.db2.gz SSBIWAVKUSDVAG-CYBMUJFWSA-N 1 2 389.420 -1.690 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@@H]1COCCO1 ZINC001582519130 1075971983 /nfs/dbraw/zinc/97/19/83/1075971983.db2.gz SSBIWAVKUSDVAG-ZDUSSCGKSA-N 1 2 389.420 -1.690 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@]12C[C@H]1COC2 ZINC001582519187 1075971759 /nfs/dbraw/zinc/97/17/59/1075971759.db2.gz VSMAVSFYDRHYCA-SJCJKPOMSA-N 1 2 385.432 -1.069 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)c1cccnn1 ZINC001582519208 1075971962 /nfs/dbraw/zinc/97/19/62/1075971962.db2.gz XALGSHQXXKBDPL-UHFFFAOYSA-N 1 2 381.404 -1.001 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)c1ccncn1 ZINC001582519255 1075971988 /nfs/dbraw/zinc/97/19/88/1075971988.db2.gz ZJQFPGUDBKPEIC-UHFFFAOYSA-N 1 2 381.404 -1.001 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)C1=COCCO1 ZINC001582519256 1075971798 /nfs/dbraw/zinc/97/17/98/1075971798.db2.gz ZKPTZSREBMNOQK-UHFFFAOYSA-N 1 2 387.404 -1.217 20 0 GAADLO O=C(NCCN1CC[NH+]([C@H]2CCCNC2=O)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582523525 1075972369 /nfs/dbraw/zinc/97/23/69/1075972369.db2.gz ACCMBUWFUDJKBU-AWEZNQCLSA-N 1 2 387.448 -1.179 20 0 GAADLO O=C(NCCN1CC[NH+]([C@@H]2CCCNC2=O)CC1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001582523526 1075972205 /nfs/dbraw/zinc/97/22/05/1075972205.db2.gz ACCMBUWFUDJKBU-CQSZACIVSA-N 1 2 387.448 -1.179 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@]12C[C@H]1COC2 ZINC001582523902 1075972489 /nfs/dbraw/zinc/97/24/89/1075972489.db2.gz IGDHTEYMCXJDNK-SJCJKPOMSA-N 1 2 385.432 -1.069 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1COCCO1 ZINC001582524346 1075972412 /nfs/dbraw/zinc/97/24/12/1075972412.db2.gz MIJZMPCRJZDTOQ-AWEZNQCLSA-N 1 2 388.432 -1.085 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@H]1COCCO1 ZINC001582524347 1075972248 /nfs/dbraw/zinc/97/22/48/1075972248.db2.gz MIJZMPCRJZDTOQ-CQSZACIVSA-N 1 2 388.432 -1.085 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@H]1COCCO1 ZINC001582524509 1075972338 /nfs/dbraw/zinc/97/23/38/1075972338.db2.gz NHSXMLXIYPAEDF-CYBMUJFWSA-N 1 2 389.420 -1.690 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@@H]1COCCO1 ZINC001582524511 1075972856 /nfs/dbraw/zinc/97/28/56/1075972856.db2.gz NHSXMLXIYPAEDF-ZDUSSCGKSA-N 1 2 389.420 -1.690 20 0 GAADLO O=C(C[NH+]1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)N1CCC1 ZINC001582524529 1075972717 /nfs/dbraw/zinc/97/27/17/1075972717.db2.gz OEKKVQDETQKNKP-UHFFFAOYSA-N 1 2 387.448 -1.226 20 0 GAADLO O=C(NCCN1CC[NH+]([C@H]2CCCNC2=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582524598 1075972696 /nfs/dbraw/zinc/97/26/96/1075972696.db2.gz PZKHXARQODVZHH-AWEZNQCLSA-N 1 2 387.448 -1.179 20 0 GAADLO O=C(NCCN1CC[NH+]([C@@H]2CCCNC2=O)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001582524600 1075972683 /nfs/dbraw/zinc/97/26/83/1075972683.db2.gz PZKHXARQODVZHH-CQSZACIVSA-N 1 2 387.448 -1.179 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)C1=COCCO1 ZINC001582524863 1075972923 /nfs/dbraw/zinc/97/29/23/1075972923.db2.gz RLSSWBNONSKQGP-UHFFFAOYSA-N 1 2 387.404 -1.217 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@@H]1COCCO1 ZINC001582524952 1075973002 /nfs/dbraw/zinc/97/30/02/1075973002.db2.gz WAQHNQUNBKZSQN-HNNXBMFYSA-N 1 2 388.432 -1.085 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@H]1COCCO1 ZINC001582524953 1075973026 /nfs/dbraw/zinc/97/30/26/1075973026.db2.gz WAQHNQUNBKZSQN-OAHLLOKOSA-N 1 2 388.432 -1.085 20 0 GAADLO O=C(C[NH+]1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)N1CCC1 ZINC001582525151 1075973375 /nfs/dbraw/zinc/97/33/75/1075973375.db2.gz YPAGCACSOPZGNP-UHFFFAOYSA-N 1 2 387.448 -1.226 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C1C[NH+](C2CCOCC2)C1 ZINC001582527355 1075973368 /nfs/dbraw/zinc/97/33/68/1075973368.db2.gz BELAECGLMZDJGY-UHFFFAOYSA-N 1 2 390.404 -1.644 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001582527449 1075973479 /nfs/dbraw/zinc/97/34/79/1075973479.db2.gz GJHGVTSFIQVVPH-JTQLQIEISA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001582527449 1075973473 /nfs/dbraw/zinc/97/34/73/1075973473.db2.gz GJHGVTSFIQVVPH-JTQLQIEISA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001582527450 1075973308 /nfs/dbraw/zinc/97/33/08/1075973308.db2.gz GJHGVTSFIQVVPH-SNVBAGLBSA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001582527450 1075973304 /nfs/dbraw/zinc/97/33/04/1075973304.db2.gz GJHGVTSFIQVVPH-SNVBAGLBSA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC001582527544 1075973513 /nfs/dbraw/zinc/97/35/13/1075973513.db2.gz JNPOIAIUTACXON-LLVKDONJSA-N 1 2 375.393 -2.365 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001582527544 1075973512 /nfs/dbraw/zinc/97/35/12/1075973512.db2.gz JNPOIAIUTACXON-LLVKDONJSA-N 1 2 375.393 -2.365 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001582527545 1075973334 /nfs/dbraw/zinc/97/33/34/1075973334.db2.gz JNPOIAIUTACXON-NSHDSACASA-N 1 2 375.393 -2.365 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001582527545 1075973330 /nfs/dbraw/zinc/97/33/30/1075973330.db2.gz JNPOIAIUTACXON-NSHDSACASA-N 1 2 375.393 -2.365 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001582527644 1075973590 /nfs/dbraw/zinc/97/35/90/1075973590.db2.gz NARRIJNQLFPSCU-LLVKDONJSA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001582527644 1075973584 /nfs/dbraw/zinc/97/35/84/1075973584.db2.gz NARRIJNQLFPSCU-LLVKDONJSA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001582527645 1075973420 /nfs/dbraw/zinc/97/34/20/1075973420.db2.gz NARRIJNQLFPSCU-NSHDSACASA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001582527645 1075973417 /nfs/dbraw/zinc/97/34/17/1075973417.db2.gz NARRIJNQLFPSCU-NSHDSACASA-N 1 2 389.420 -1.088 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001582527762 1075974142 /nfs/dbraw/zinc/97/41/42/1075974142.db2.gz RFDCZGBUZZSREZ-SECBINFHSA-N 1 2 375.393 -1.335 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001582527762 1075974138 /nfs/dbraw/zinc/97/41/38/1075974138.db2.gz RFDCZGBUZZSREZ-SECBINFHSA-N 1 2 375.393 -1.335 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001582527763 1075974086 /nfs/dbraw/zinc/97/40/86/1075974086.db2.gz RFDCZGBUZZSREZ-VIFPVBQESA-N 1 2 375.393 -1.335 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001582527763 1075974083 /nfs/dbraw/zinc/97/40/83/1075974083.db2.gz RFDCZGBUZZSREZ-VIFPVBQESA-N 1 2 375.393 -1.335 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC001582527888 1075974159 /nfs/dbraw/zinc/97/41/59/1075974159.db2.gz XNCXDVUMUUJVJS-JTQLQIEISA-N 1 2 376.377 -2.034 20 0 GAADLO O=C(NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001582527889 1075973839 /nfs/dbraw/zinc/97/38/39/1075973839.db2.gz XNCXDVUMUUJVJS-SNVBAGLBSA-N 1 2 376.377 -2.034 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582574511 1075976641 /nfs/dbraw/zinc/97/66/41/1075976641.db2.gz HENYDJPYMPMITI-OLZOCXBDSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582574653 1075977431 /nfs/dbraw/zinc/97/74/31/1075977431.db2.gz OHBBFVBVVMFMSR-NEPJUHHUSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001582574654 1075977482 /nfs/dbraw/zinc/97/74/82/1075977482.db2.gz OHBBFVBVVMFMSR-VXGBXAGGSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001582574708 1075977898 /nfs/dbraw/zinc/97/78/98/1075977898.db2.gz QPEUWDUHEIDPJI-OLZOCXBDSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582574733 1075977767 /nfs/dbraw/zinc/97/77/67/1075977767.db2.gz RWIGELOJAVVXFF-NEPJUHHUSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001582574734 1075977775 /nfs/dbraw/zinc/97/77/75/1075977775.db2.gz RWIGELOJAVVXFF-VXGBXAGGSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582574777 1075978244 /nfs/dbraw/zinc/97/82/44/1075978244.db2.gz UBSMOIQWTOVSDJ-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001582574777 1075978240 /nfs/dbraw/zinc/97/82/40/1075978240.db2.gz UBSMOIQWTOVSDJ-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582574830 1075978367 /nfs/dbraw/zinc/97/83/67/1075978367.db2.gz WNQMGEQVVHKPOO-CHWSQXEVSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582574831 1075978270 /nfs/dbraw/zinc/97/82/70/1075978270.db2.gz WNQMGEQVVHKPOO-OLZOCXBDSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001582574855 1075978341 /nfs/dbraw/zinc/97/83/41/1075978341.db2.gz XTQINAURSGUHEE-NEPJUHHUSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001582574856 1075978758 /nfs/dbraw/zinc/97/87/58/1075978758.db2.gz XTQINAURSGUHEE-VXGBXAGGSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)N1CCCCC1 ZINC001582575026 1075979430 /nfs/dbraw/zinc/97/94/30/1075979430.db2.gz GVEDRTOKVGHYAE-KGLIPLIRSA-N 1 2 388.432 -1.018 20 0 GAADLO O=C(C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)N1CCCCC1 ZINC001582575026 1075979426 /nfs/dbraw/zinc/97/94/26/1075979426.db2.gz GVEDRTOKVGHYAE-KGLIPLIRSA-N 1 2 388.432 -1.018 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001582578205 1075981932 /nfs/dbraw/zinc/98/19/32/1075981932.db2.gz RKAJHUWPPFCAHI-GHMZBOCLSA-N 1 2 388.413 -1.013 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001582578205 1075981923 /nfs/dbraw/zinc/98/19/23/1075981923.db2.gz RKAJHUWPPFCAHI-GHMZBOCLSA-N 1 2 388.413 -1.013 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001582578206 1075981872 /nfs/dbraw/zinc/98/18/72/1075981872.db2.gz RKAJHUWPPFCAHI-MNOVXSKESA-N 1 2 388.413 -1.013 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001582578206 1075981870 /nfs/dbraw/zinc/98/18/70/1075981870.db2.gz RKAJHUWPPFCAHI-MNOVXSKESA-N 1 2 388.413 -1.013 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001582580029 1075982441 /nfs/dbraw/zinc/98/24/41/1075982441.db2.gz CDIVCLOMJDCDJE-RTXFEEFZSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001582580030 1075982267 /nfs/dbraw/zinc/98/22/67/1075982267.db2.gz CDIVCLOMJDCDJE-UHTWSYAYSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001582581834 1075984328 /nfs/dbraw/zinc/98/43/28/1075984328.db2.gz KMEHEYHISHUALC-RTXFEEFZSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001582581835 1075984384 /nfs/dbraw/zinc/98/43/84/1075984384.db2.gz KMEHEYHISHUALC-UHTWSYAYSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(Nc1n[nH]cc1-c1nn[nH]n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001582629820 1075988267 /nfs/dbraw/zinc/98/82/67/1075988267.db2.gz CDUOIMPGHMZGMP-JTQLQIEISA-N 1 2 375.393 -1.291 20 0 GAADLO O=C(Nc1n[nH]cc1-c1nn[nH]n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001582629821 1075988527 /nfs/dbraw/zinc/98/85/27/1075988527.db2.gz CDUOIMPGHMZGMP-SNVBAGLBSA-N 1 2 375.393 -1.291 20 0 GAADLO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC001582768249 1076007760 /nfs/dbraw/zinc/00/77/60/1076007760.db2.gz NCKQNFGEUPFBNQ-ZDUSSCGKSA-N 1 2 388.432 -1.064 20 0 GAADLO O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC001582768304 1076007779 /nfs/dbraw/zinc/00/77/79/1076007779.db2.gz PMXSQSGHUFDOOC-LBPRGKRZSA-N 1 2 388.432 -1.064 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001582770541 1076010509 /nfs/dbraw/zinc/01/05/09/1076010509.db2.gz CAHZGXYCBFPEGC-ZDUSSCGKSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@@H]1CCC(=O)N1 ZINC001582770589 1076010767 /nfs/dbraw/zinc/01/07/67/1076010767.db2.gz DWABRKCWDMGVOL-LBPRGKRZSA-N 1 2 386.420 -1.827 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001582770821 1076011150 /nfs/dbraw/zinc/01/11/50/1076011150.db2.gz MDMUQSJVALQBCS-ZDUSSCGKSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001582771023 1076011469 /nfs/dbraw/zinc/01/14/69/1076011469.db2.gz QXILEQKHSXTLFA-NSHDSACASA-N 1 2 386.420 -1.827 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001582771041 1076011318 /nfs/dbraw/zinc/01/13/18/1076011318.db2.gz ROTWUSBMHWTTNS-NSHDSACASA-N 1 2 386.420 -1.827 20 0 GAADLO O=C(NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001582771184 1076011843 /nfs/dbraw/zinc/01/18/43/1076011843.db2.gz WOKNTNITIVIKLE-ZDUSSCGKSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001582771287 1076012094 /nfs/dbraw/zinc/01/20/94/1076012094.db2.gz ZVTUELYITMMOQP-AWEZNQCLSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001582771957 1076012985 /nfs/dbraw/zinc/01/29/85/1076012985.db2.gz FLOLPDHJRKAXMT-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001582771957 1076012982 /nfs/dbraw/zinc/01/29/82/1076012982.db2.gz FLOLPDHJRKAXMT-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772043 1076012962 /nfs/dbraw/zinc/01/29/62/1076012962.db2.gz KAKUQGXHPJPWLA-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772043 1076012960 /nfs/dbraw/zinc/01/29/60/1076012960.db2.gz KAKUQGXHPJPWLA-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772062 1076012870 /nfs/dbraw/zinc/01/28/70/1076012870.db2.gz KJVPVKZOHMDYRL-HBNTYKKESA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772062 1076012863 /nfs/dbraw/zinc/01/28/63/1076012863.db2.gz KJVPVKZOHMDYRL-HBNTYKKESA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772208 1076013318 /nfs/dbraw/zinc/01/33/18/1076013318.db2.gz OKUNQOPXNFLFKA-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772208 1076013317 /nfs/dbraw/zinc/01/33/17/1076013317.db2.gz OKUNQOPXNFLFKA-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772209 1076013297 /nfs/dbraw/zinc/01/32/97/1076013297.db2.gz OKUNQOPXNFLFKA-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772209 1076013292 /nfs/dbraw/zinc/01/32/92/1076013292.db2.gz OKUNQOPXNFLFKA-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772419 1076013406 /nfs/dbraw/zinc/01/34/06/1076013406.db2.gz YDEPKKGYUVKMMW-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001582772419 1076013400 /nfs/dbraw/zinc/01/34/00/1076013400.db2.gz YDEPKKGYUVKMMW-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001582773390 1076014561 /nfs/dbraw/zinc/01/45/61/1076014561.db2.gz CAHZGXYCBFPEGC-CYBMUJFWSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@H]1CCC(=O)N1 ZINC001582773437 1076014770 /nfs/dbraw/zinc/01/47/70/1076014770.db2.gz DWABRKCWDMGVOL-GFCCVEGCSA-N 1 2 386.420 -1.827 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001582773771 1076015578 /nfs/dbraw/zinc/01/55/78/1076015578.db2.gz QXILEQKHSXTLFA-LLVKDONJSA-N 1 2 386.420 -1.827 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@H]1CCC(=O)N1 ZINC001582773786 1076015430 /nfs/dbraw/zinc/01/54/30/1076015430.db2.gz ROTWUSBMHWTTNS-LLVKDONJSA-N 1 2 386.420 -1.827 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@H]1CCC(=O)N1 ZINC001582773822 1076015513 /nfs/dbraw/zinc/01/55/13/1076015513.db2.gz SVQVIAUYXAXDRT-LLVKDONJSA-N 1 2 386.420 -1.827 20 0 GAADLO O=C(NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CCC(=O)N1 ZINC001582773913 1076015722 /nfs/dbraw/zinc/01/57/22/1076015722.db2.gz WOKNTNITIVIKLE-CYBMUJFWSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001582774014 1076015864 /nfs/dbraw/zinc/01/58/64/1076015864.db2.gz ZVTUELYITMMOQP-CQSZACIVSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582774610 1076015919 /nfs/dbraw/zinc/01/59/19/1076015919.db2.gz KAKUQGXHPJPWLA-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582774610 1076015911 /nfs/dbraw/zinc/01/59/11/1076015911.db2.gz KAKUQGXHPJPWLA-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582774629 1076016023 /nfs/dbraw/zinc/01/60/23/1076016023.db2.gz KJVPVKZOHMDYRL-MXWKQRLJSA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582774629 1076016018 /nfs/dbraw/zinc/01/60/18/1076016018.db2.gz KJVPVKZOHMDYRL-MXWKQRLJSA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCNC(=O)C1 ZINC001582774657 1076015960 /nfs/dbraw/zinc/01/59/60/1076015960.db2.gz LLBHDAONWXYSEL-JTQLQIEISA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCNC(=O)C1 ZINC001582774657 1076015957 /nfs/dbraw/zinc/01/59/57/1076015957.db2.gz LLBHDAONWXYSEL-JTQLQIEISA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCNC(=O)C1 ZINC001582774658 1076016059 /nfs/dbraw/zinc/01/60/59/1076016059.db2.gz LLBHDAONWXYSEL-SNVBAGLBSA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)N1CCNC(=O)C1 ZINC001582774658 1076016054 /nfs/dbraw/zinc/01/60/54/1076016054.db2.gz LLBHDAONWXYSEL-SNVBAGLBSA-N 1 2 387.404 -2.043 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582774826 1076016328 /nfs/dbraw/zinc/01/63/28/1076016328.db2.gz OKUNQOPXNFLFKA-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582774826 1076016324 /nfs/dbraw/zinc/01/63/24/1076016324.db2.gz OKUNQOPXNFLFKA-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001582774827 1076016347 /nfs/dbraw/zinc/01/63/47/1076016347.db2.gz OKUNQOPXNFLFKA-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001582774827 1076016341 /nfs/dbraw/zinc/01/63/41/1076016341.db2.gz OKUNQOPXNFLFKA-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(C[NH+]1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)N1CCNC(=O)C1 ZINC001582775057 1076016867 /nfs/dbraw/zinc/01/68/67/1076016867.db2.gz VQIJBJAJQNBUKS-UHFFFAOYSA-N 1 2 387.404 -2.185 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582775141 1076017014 /nfs/dbraw/zinc/01/70/14/1076017014.db2.gz YDEPKKGYUVKMMW-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001582775141 1076017009 /nfs/dbraw/zinc/01/70/09/1076017009.db2.gz YDEPKKGYUVKMMW-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001582775142 1076016806 /nfs/dbraw/zinc/01/68/06/1076016806.db2.gz YDEPKKGYUVKMMW-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001582775142 1076016800 /nfs/dbraw/zinc/01/68/00/1076016800.db2.gz YDEPKKGYUVKMMW-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@H]1COC(=O)N1 ZINC001582779708 1076027931 /nfs/dbraw/zinc/02/79/31/1076027931.db2.gz BLAFFOIWMHCXKV-LLVKDONJSA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@@H]1COC(=O)N1 ZINC001582779709 1076028036 /nfs/dbraw/zinc/02/80/36/1076028036.db2.gz BLAFFOIWMHCXKV-NSHDSACASA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@H]1COC(=O)N1 ZINC001582779918 1076028582 /nfs/dbraw/zinc/02/85/82/1076028582.db2.gz GQWQBRYOGMKEGC-CYBMUJFWSA-N 1 2 387.404 -1.392 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@@H]1COC(=O)N1 ZINC001582779919 1076028485 /nfs/dbraw/zinc/02/84/85/1076028485.db2.gz GQWQBRYOGMKEGC-ZDUSSCGKSA-N 1 2 387.404 -1.392 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@H]1COC(=O)N1 ZINC001582780062 1076029066 /nfs/dbraw/zinc/02/90/66/1076029066.db2.gz IILBXRXAMANDQG-GFCCVEGCSA-N 1 2 387.404 -1.392 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@@H]1COC(=O)N1 ZINC001582780063 1076029017 /nfs/dbraw/zinc/02/90/17/1076029017.db2.gz IILBXRXAMANDQG-LBPRGKRZSA-N 1 2 387.404 -1.392 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@H]1COC(=O)N1 ZINC001582780262 1076028851 /nfs/dbraw/zinc/02/88/51/1076028851.db2.gz LONXVUTYMPICSE-LLVKDONJSA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@@H]1COC(=O)N1 ZINC001582780263 1076029511 /nfs/dbraw/zinc/02/95/11/1076029511.db2.gz LONXVUTYMPICSE-NSHDSACASA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@H]1COC(=O)N1 ZINC001582780678 1076030861 /nfs/dbraw/zinc/03/08/61/1076030861.db2.gz SYIHUATXCXWHGF-LLVKDONJSA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@@H]1COC(=O)N1 ZINC001582780679 1076030701 /nfs/dbraw/zinc/03/07/01/1076030701.db2.gz SYIHUATXCXWHGF-NSHDSACASA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1COC(=O)N1 ZINC001582780718 1076030585 /nfs/dbraw/zinc/03/05/85/1076030585.db2.gz UJXBQPXZTWBARJ-GFCCVEGCSA-N 1 2 387.404 -1.392 20 0 GAADLO O=C(NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1COC(=O)N1 ZINC001582780719 1076030595 /nfs/dbraw/zinc/03/05/95/1076030595.db2.gz UJXBQPXZTWBARJ-LBPRGKRZSA-N 1 2 387.404 -1.392 20 0 GAADLO O=C(NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CNC(=O)N1 ZINC001582781342 1076032109 /nfs/dbraw/zinc/03/21/09/1076032109.db2.gz DRNMOVYVADAFNY-CYBMUJFWSA-N 1 2 386.416 -1.399 20 0 GAADLO O=C(NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CNC(=O)N1 ZINC001582781343 1076032050 /nfs/dbraw/zinc/03/20/50/1076032050.db2.gz DRNMOVYVADAFNY-ZDUSSCGKSA-N 1 2 386.416 -1.399 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001582781413 1076032361 /nfs/dbraw/zinc/03/23/61/1076032361.db2.gz DTVMXMDOFJPWSN-BBBLOLIVSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001582781413 1076032359 /nfs/dbraw/zinc/03/23/59/1076032359.db2.gz DTVMXMDOFJPWSN-BBBLOLIVSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582781414 1076032634 /nfs/dbraw/zinc/03/26/34/1076032634.db2.gz DTVMXMDOFJPWSN-KXUCPTDWSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582781414 1076032630 /nfs/dbraw/zinc/03/26/30/1076032630.db2.gz DTVMXMDOFJPWSN-KXUCPTDWSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582781415 1076032525 /nfs/dbraw/zinc/03/25/25/1076032525.db2.gz DTVMXMDOFJPWSN-OPRDCNLKSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582781415 1076032519 /nfs/dbraw/zinc/03/25/19/1076032519.db2.gz DTVMXMDOFJPWSN-OPRDCNLKSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001582781416 1076032611 /nfs/dbraw/zinc/03/26/11/1076032611.db2.gz DTVMXMDOFJPWSN-UTLUCORTSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001582781416 1076032607 /nfs/dbraw/zinc/03/26/07/1076032607.db2.gz DTVMXMDOFJPWSN-UTLUCORTSA-N 1 2 379.402 -1.302 20 0 GAADLO O=C(NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CNC(=O)N1 ZINC001582781847 1076033854 /nfs/dbraw/zinc/03/38/54/1076033854.db2.gz LJQXLCKZGIEPSZ-CYBMUJFWSA-N 1 2 386.416 -1.399 20 0 GAADLO O=C(NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CNC(=O)N1 ZINC001582781848 1076033829 /nfs/dbraw/zinc/03/38/29/1076033829.db2.gz LJQXLCKZGIEPSZ-ZDUSSCGKSA-N 1 2 386.416 -1.399 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001582782206 1076035035 /nfs/dbraw/zinc/03/50/35/1076035035.db2.gz NADSIPOTFZEFGT-AGIUHOORSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001582782206 1076035031 /nfs/dbraw/zinc/03/50/31/1076035031.db2.gz NADSIPOTFZEFGT-AGIUHOORSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582782207 1076035336 /nfs/dbraw/zinc/03/53/36/1076035336.db2.gz NADSIPOTFZEFGT-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582782207 1076035331 /nfs/dbraw/zinc/03/53/31/1076035331.db2.gz NADSIPOTFZEFGT-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582782208 1076035279 /nfs/dbraw/zinc/03/52/79/1076035279.db2.gz NADSIPOTFZEFGT-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582782208 1076035272 /nfs/dbraw/zinc/03/52/72/1076035272.db2.gz NADSIPOTFZEFGT-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001582782209 1076034980 /nfs/dbraw/zinc/03/49/80/1076034980.db2.gz NADSIPOTFZEFGT-UPJWGTAASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001582782209 1076034974 /nfs/dbraw/zinc/03/49/74/1076034974.db2.gz NADSIPOTFZEFGT-UPJWGTAASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001582782370 1076035666 /nfs/dbraw/zinc/03/56/66/1076035666.db2.gz OAUZDPBORUONAB-AGIUHOORSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001582782370 1076035659 /nfs/dbraw/zinc/03/56/59/1076035659.db2.gz OAUZDPBORUONAB-AGIUHOORSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582782371 1076035741 /nfs/dbraw/zinc/03/57/41/1076035741.db2.gz OAUZDPBORUONAB-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582782371 1076035736 /nfs/dbraw/zinc/03/57/36/1076035736.db2.gz OAUZDPBORUONAB-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582782372 1076035812 /nfs/dbraw/zinc/03/58/12/1076035812.db2.gz OAUZDPBORUONAB-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582782372 1076035806 /nfs/dbraw/zinc/03/58/06/1076035806.db2.gz OAUZDPBORUONAB-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001582782373 1076035690 /nfs/dbraw/zinc/03/56/90/1076035690.db2.gz OAUZDPBORUONAB-UPJWGTAASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001582782373 1076035684 /nfs/dbraw/zinc/03/56/84/1076035684.db2.gz OAUZDPBORUONAB-UPJWGTAASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CNC(=O)N1 ZINC001582782667 1076036920 /nfs/dbraw/zinc/03/69/20/1076036920.db2.gz VIGIQCZCUJOALW-CYBMUJFWSA-N 1 2 386.416 -1.399 20 0 GAADLO O=C(NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001582782668 1076036955 /nfs/dbraw/zinc/03/69/55/1076036955.db2.gz VIGIQCZCUJOALW-ZDUSSCGKSA-N 1 2 386.416 -1.399 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@@H]1COC(=O)N1 ZINC001582782924 1076037783 /nfs/dbraw/zinc/03/77/83/1076037783.db2.gz VGVSGUVFSKJDNI-JTQLQIEISA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@H]1COC(=O)N1 ZINC001582782925 1076037898 /nfs/dbraw/zinc/03/78/98/1076037898.db2.gz VGVSGUVFSKJDNI-SNVBAGLBSA-N 1 2 388.392 -1.997 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582783074 1076038229 /nfs/dbraw/zinc/03/82/29/1076038229.db2.gz WVAQNRYLRCTLAK-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001582783074 1076038224 /nfs/dbraw/zinc/03/82/24/1076038224.db2.gz WVAQNRYLRCTLAK-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582783075 1076038293 /nfs/dbraw/zinc/03/82/93/1076038293.db2.gz WVAQNRYLRCTLAK-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001582783075 1076038288 /nfs/dbraw/zinc/03/82/88/1076038288.db2.gz WVAQNRYLRCTLAK-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582783674 1076038972 /nfs/dbraw/zinc/03/89/72/1076038972.db2.gz CBAGQYQDNHHQAK-KBPBESRZSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582783674 1076038968 /nfs/dbraw/zinc/03/89/68/1076038968.db2.gz CBAGQYQDNHHQAK-KBPBESRZSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582783675 1076039227 /nfs/dbraw/zinc/03/92/27/1076039227.db2.gz CBAGQYQDNHHQAK-KGLIPLIRSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582783675 1076039220 /nfs/dbraw/zinc/03/92/20/1076039220.db2.gz CBAGQYQDNHHQAK-KGLIPLIRSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1CNC(=O)N1 ZINC001582783676 1076038898 /nfs/dbraw/zinc/03/88/98/1076038898.db2.gz CBAGQYQDNHHQAK-UONOGXRCSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1CNC(=O)N1 ZINC001582783676 1076038894 /nfs/dbraw/zinc/03/88/94/1076038894.db2.gz CBAGQYQDNHHQAK-UONOGXRCSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1CNC(=O)N1 ZINC001582783677 1076039009 /nfs/dbraw/zinc/03/90/09/1076039009.db2.gz CBAGQYQDNHHQAK-ZIAGYGMSSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1)[C@H]1CNC(=O)N1 ZINC001582783677 1076039006 /nfs/dbraw/zinc/03/90/06/1076039006.db2.gz CBAGQYQDNHHQAK-ZIAGYGMSSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@H]1CNC(=O)N1 ZINC001582784597 1076041757 /nfs/dbraw/zinc/04/17/57/1076041757.db2.gz QJXISXOLLKUVLE-GFCCVEGCSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CNC(=O)N1 ZINC001582784598 1076041579 /nfs/dbraw/zinc/04/15/79/1076041579.db2.gz QJXISXOLLKUVLE-LBPRGKRZSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@H]1CNC(=O)N1 ZINC001582785386 1076044086 /nfs/dbraw/zinc/04/40/86/1076044086.db2.gz YCVMVFRSYGMABM-GXTWGEPZSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@H]1CNC(=O)N1 ZINC001582785386 1076044084 /nfs/dbraw/zinc/04/40/84/1076044084.db2.gz YCVMVFRSYGMABM-GXTWGEPZSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582785388 1076043992 /nfs/dbraw/zinc/04/39/92/1076043992.db2.gz YCVMVFRSYGMABM-JSGCOSHPSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582785388 1076043988 /nfs/dbraw/zinc/04/39/88/1076043988.db2.gz YCVMVFRSYGMABM-JSGCOSHPSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582785390 1076044096 /nfs/dbraw/zinc/04/40/96/1076044096.db2.gz YCVMVFRSYGMABM-OCCSQVGLSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@@H]1CNC(=O)N1 ZINC001582785390 1076044094 /nfs/dbraw/zinc/04/40/94/1076044094.db2.gz YCVMVFRSYGMABM-OCCSQVGLSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@H]1CNC(=O)N1 ZINC001582785392 1076044119 /nfs/dbraw/zinc/04/41/19/1076044119.db2.gz YCVMVFRSYGMABM-TZMCWYRMSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1)[C@H]1CNC(=O)N1 ZINC001582785392 1076044117 /nfs/dbraw/zinc/04/41/17/1076044117.db2.gz YCVMVFRSYGMABM-TZMCWYRMSA-N 1 2 386.416 -1.135 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@@H]1CNC(=O)N1 ZINC001582785547 1076044416 /nfs/dbraw/zinc/04/44/16/1076044416.db2.gz CAMSNWZXWCBPIT-JTQLQIEISA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@H]1CNC(=O)N1 ZINC001582785548 1076044287 /nfs/dbraw/zinc/04/42/87/1076044287.db2.gz CAMSNWZXWCBPIT-SNVBAGLBSA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582785633 1076044592 /nfs/dbraw/zinc/04/45/92/1076044592.db2.gz OOILCYMLQPHMRT-GMTAPVOTSA-N 1 2 377.430 -1.274 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582785633 1076044587 /nfs/dbraw/zinc/04/45/87/1076044587.db2.gz OOILCYMLQPHMRT-GMTAPVOTSA-N 1 2 377.430 -1.274 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582785634 1076044638 /nfs/dbraw/zinc/04/46/38/1076044638.db2.gz OOILCYMLQPHMRT-HBNTYKKESA-N 1 2 377.430 -1.274 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582785634 1076044630 /nfs/dbraw/zinc/04/46/30/1076044630.db2.gz OOILCYMLQPHMRT-HBNTYKKESA-N 1 2 377.430 -1.274 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@H]1CNC(=O)N1 ZINC001582785684 1076044680 /nfs/dbraw/zinc/04/46/80/1076044680.db2.gz FDIOBUOKWZPLRO-CYBMUJFWSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)[C@@H]1CNC(=O)N1 ZINC001582785685 1076044700 /nfs/dbraw/zinc/04/47/00/1076044700.db2.gz FDIOBUOKWZPLRO-ZDUSSCGKSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582785855 1076044825 /nfs/dbraw/zinc/04/48/25/1076044825.db2.gz RSZXNQQWYFHILV-IACUBPJLSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CCNC1=O ZINC001582785855 1076044822 /nfs/dbraw/zinc/04/48/22/1076044822.db2.gz RSZXNQQWYFHILV-IACUBPJLSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582785856 1076044721 /nfs/dbraw/zinc/04/47/21/1076044721.db2.gz RSZXNQQWYFHILV-MRVWCRGKSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001582785856 1076044718 /nfs/dbraw/zinc/04/47/18/1076044718.db2.gz RSZXNQQWYFHILV-MRVWCRGKSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786166 1076045306 /nfs/dbraw/zinc/04/53/06/1076045306.db2.gz KHQAHRDHZXCZSW-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786166 1076045301 /nfs/dbraw/zinc/04/53/01/1076045301.db2.gz KHQAHRDHZXCZSW-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786167 1076045212 /nfs/dbraw/zinc/04/52/12/1076045212.db2.gz KHQAHRDHZXCZSW-UPJWGTAASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786167 1076045207 /nfs/dbraw/zinc/04/52/07/1076045207.db2.gz KHQAHRDHZXCZSW-UPJWGTAASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786168 1076045092 /nfs/dbraw/zinc/04/50/92/1076045092.db2.gz KHQAHRDHZXCZSW-XQQFMLRXSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786168 1076045089 /nfs/dbraw/zinc/04/50/89/1076045089.db2.gz KHQAHRDHZXCZSW-XQQFMLRXSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786169 1076045078 /nfs/dbraw/zinc/04/50/78/1076045078.db2.gz KHQAHRDHZXCZSW-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786169 1076045076 /nfs/dbraw/zinc/04/50/76/1076045076.db2.gz KHQAHRDHZXCZSW-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@H]1CNC(=O)N1 ZINC001582786429 1076045566 /nfs/dbraw/zinc/04/55/66/1076045566.db2.gz NNHGBDIJICCHKV-LLVKDONJSA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)[C@@H]1CNC(=O)N1 ZINC001582786430 1076045701 /nfs/dbraw/zinc/04/57/01/1076045701.db2.gz NNHGBDIJICCHKV-NSHDSACASA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@H]1CNC(=O)N1 ZINC001582786446 1076045530 /nfs/dbraw/zinc/04/55/30/1076045530.db2.gz NXHDVORGSDJELN-LLVKDONJSA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CNC(=O)N1 ZINC001582786447 1076045669 /nfs/dbraw/zinc/04/56/69/1076045669.db2.gz NXHDVORGSDJELN-NSHDSACASA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786763 1076046071 /nfs/dbraw/zinc/04/60/71/1076046071.db2.gz RBHJZKCJKRGRCI-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786763 1076046067 /nfs/dbraw/zinc/04/60/67/1076046067.db2.gz RBHJZKCJKRGRCI-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786764 1076046048 /nfs/dbraw/zinc/04/60/48/1076046048.db2.gz RBHJZKCJKRGRCI-UPJWGTAASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786764 1076046042 /nfs/dbraw/zinc/04/60/42/1076046042.db2.gz RBHJZKCJKRGRCI-UPJWGTAASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786765 1076046100 /nfs/dbraw/zinc/04/61/00/1076046100.db2.gz RBHJZKCJKRGRCI-XQQFMLRXSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786765 1076046093 /nfs/dbraw/zinc/04/60/93/1076046093.db2.gz RBHJZKCJKRGRCI-XQQFMLRXSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786766 1076046140 /nfs/dbraw/zinc/04/61/40/1076046140.db2.gz RBHJZKCJKRGRCI-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786766 1076046132 /nfs/dbraw/zinc/04/61/32/1076046132.db2.gz RBHJZKCJKRGRCI-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@H]1CNC(=O)N1 ZINC001582786783 1076046256 /nfs/dbraw/zinc/04/62/56/1076046256.db2.gz RPHUUKQGCLQNCV-LLVKDONJSA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)[C@@H]1CNC(=O)N1 ZINC001582786784 1076046340 /nfs/dbraw/zinc/04/63/40/1076046340.db2.gz RPHUUKQGCLQNCV-NSHDSACASA-N 1 2 387.408 -2.424 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786788 1076046019 /nfs/dbraw/zinc/04/60/19/1076046019.db2.gz RTNCTYNATHHHSU-AEJSXWLSSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786788 1076046011 /nfs/dbraw/zinc/04/60/11/1076046011.db2.gz RTNCTYNATHHHSU-AEJSXWLSSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786789 1076046200 /nfs/dbraw/zinc/04/62/00/1076046200.db2.gz RTNCTYNATHHHSU-BBBLOLIVSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582786789 1076046193 /nfs/dbraw/zinc/04/61/93/1076046193.db2.gz RTNCTYNATHHHSU-BBBLOLIVSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786790 1076045967 /nfs/dbraw/zinc/04/59/67/1076045967.db2.gz RTNCTYNATHHHSU-IVZWLZJFSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582786790 1076045960 /nfs/dbraw/zinc/04/59/60/1076045960.db2.gz RTNCTYNATHHHSU-IVZWLZJFSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786791 1076046319 /nfs/dbraw/zinc/04/63/19/1076046319.db2.gz RTNCTYNATHHHSU-OPRDCNLKSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582786791 1076046315 /nfs/dbraw/zinc/04/63/15/1076046315.db2.gz RTNCTYNATHHHSU-OPRDCNLKSA-N 1 2 378.418 -1.729 20 0 GAADLO O=C(NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@H]1CNC(=O)N1 ZINC001582787127 1076046731 /nfs/dbraw/zinc/04/67/31/1076046731.db2.gz VIEBKOFFUWAJOM-GFCCVEGCSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[C@@H]1CNC(=O)N1 ZINC001582787128 1076046739 /nfs/dbraw/zinc/04/67/39/1076046739.db2.gz VIEBKOFFUWAJOM-LBPRGKRZSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787179 1076046723 /nfs/dbraw/zinc/04/67/23/1076046723.db2.gz WXPJOJHVJUPMCA-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787179 1076046720 /nfs/dbraw/zinc/04/67/20/1076046720.db2.gz WXPJOJHVJUPMCA-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787180 1076046623 /nfs/dbraw/zinc/04/66/23/1076046623.db2.gz WXPJOJHVJUPMCA-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787180 1076046621 /nfs/dbraw/zinc/04/66/21/1076046621.db2.gz WXPJOJHVJUPMCA-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787183 1076046560 /nfs/dbraw/zinc/04/65/60/1076046560.db2.gz XDLFGBJENOLZKT-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001582787183 1076046555 /nfs/dbraw/zinc/04/65/55/1076046555.db2.gz XDLFGBJENOLZKT-JHJVBQTASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582787184 1076046603 /nfs/dbraw/zinc/04/66/03/1076046603.db2.gz XDLFGBJENOLZKT-UPJWGTAASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001582787184 1076046597 /nfs/dbraw/zinc/04/65/97/1076046597.db2.gz XDLFGBJENOLZKT-UPJWGTAASA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787185 1076046663 /nfs/dbraw/zinc/04/66/63/1076046663.db2.gz XDLFGBJENOLZKT-XQQFMLRXSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787185 1076046659 /nfs/dbraw/zinc/04/66/59/1076046659.db2.gz XDLFGBJENOLZKT-XQQFMLRXSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787186 1076047015 /nfs/dbraw/zinc/04/70/15/1076047015.db2.gz XDLFGBJENOLZKT-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001582787186 1076047010 /nfs/dbraw/zinc/04/70/10/1076047010.db2.gz XDLFGBJENOLZKT-YNEHKIRRSA-N 1 2 390.379 -1.652 20 0 GAADLO O=S(=O)(CC[N@H+]1C[C@H](CO)[C@H](CCO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791099 1076048506 /nfs/dbraw/zinc/04/85/06/1076048506.db2.gz UJEIQIOJQADXTP-CHWSQXEVSA-N 1 2 382.446 -1.042 20 0 GAADLO O=S(=O)(CC[N@@H+]1C[C@H](CO)[C@H](CCO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791099 1076048500 /nfs/dbraw/zinc/04/85/00/1076048500.db2.gz UJEIQIOJQADXTP-CHWSQXEVSA-N 1 2 382.446 -1.042 20 0 GAADLO O=S(=O)(CC[N@H+]1C[C@@H](CO)[C@H](CCO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791100 1076048460 /nfs/dbraw/zinc/04/84/60/1076048460.db2.gz UJEIQIOJQADXTP-OLZOCXBDSA-N 1 2 382.446 -1.042 20 0 GAADLO O=S(=O)(CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791100 1076048451 /nfs/dbraw/zinc/04/84/51/1076048451.db2.gz UJEIQIOJQADXTP-OLZOCXBDSA-N 1 2 382.446 -1.042 20 0 GAADLO O=S(=O)(CC[N@H+]1C[C@H](CO)[C@@H](CCO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791101 1076048420 /nfs/dbraw/zinc/04/84/20/1076048420.db2.gz UJEIQIOJQADXTP-QWHCGFSZSA-N 1 2 382.446 -1.042 20 0 GAADLO O=S(=O)(CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791101 1076048414 /nfs/dbraw/zinc/04/84/14/1076048414.db2.gz UJEIQIOJQADXTP-QWHCGFSZSA-N 1 2 382.446 -1.042 20 0 GAADLO O=S(=O)(CC[N@@H+]1C[C@H](CCO)[C@H](CO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791102 1076048567 /nfs/dbraw/zinc/04/85/67/1076048567.db2.gz UJEIQIOJQADXTP-STQMWFEESA-N 1 2 382.446 -1.042 20 0 GAADLO O=S(=O)(CC[N@H+]1C[C@H](CCO)[C@H](CO)C1)c1ccc(-c2nn[nH]n2)cn1 ZINC001582791102 1076048563 /nfs/dbraw/zinc/04/85/63/1076048563.db2.gz UJEIQIOJQADXTP-STQMWFEESA-N 1 2 382.446 -1.042 20 0 GAADLO COCc1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001583786032 1076050818 /nfs/dbraw/zinc/05/08/18/1076050818.db2.gz MCIFMGKPWDYEIG-AWEZNQCLSA-N 1 2 392.460 -1.053 20 0 GAADLO COCc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001583786033 1076050844 /nfs/dbraw/zinc/05/08/44/1076050844.db2.gz MCIFMGKPWDYEIG-CQSZACIVSA-N 1 2 392.460 -1.053 20 0 GAADLO C[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473241 1076051713 /nfs/dbraw/zinc/05/17/13/1076051713.db2.gz WMRVYOULAOKOQL-APIJFGDWSA-N 1 2 375.491 -1.554 20 0 GAADLO C[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473241 1076051710 /nfs/dbraw/zinc/05/17/10/1076051710.db2.gz WMRVYOULAOKOQL-APIJFGDWSA-N 1 2 375.491 -1.554 20 0 GAADLO C[N@@H+](CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473242 1076051620 /nfs/dbraw/zinc/05/16/20/1076051620.db2.gz WMRVYOULAOKOQL-GBJTYRQASA-N 1 2 375.491 -1.554 20 0 GAADLO C[N@H+](CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473242 1076051614 /nfs/dbraw/zinc/05/16/14/1076051614.db2.gz WMRVYOULAOKOQL-GBJTYRQASA-N 1 2 375.491 -1.554 20 0 GAADLO C[N@@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473243 1076051681 /nfs/dbraw/zinc/05/16/81/1076051681.db2.gz WMRVYOULAOKOQL-KBUPBQIOSA-N 1 2 375.491 -1.554 20 0 GAADLO C[N@H+](CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473243 1076051672 /nfs/dbraw/zinc/05/16/72/1076051672.db2.gz WMRVYOULAOKOQL-KBUPBQIOSA-N 1 2 375.491 -1.554 20 0 GAADLO C[N@@H+](CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473244 1076051591 /nfs/dbraw/zinc/05/15/91/1076051591.db2.gz WMRVYOULAOKOQL-LJISPDSOSA-N 1 2 375.491 -1.554 20 0 GAADLO C[N@H+](CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H]1CCC[C@H]1O ZINC001584473244 1076051585 /nfs/dbraw/zinc/05/15/85/1076051585.db2.gz WMRVYOULAOKOQL-LJISPDSOSA-N 1 2 375.491 -1.554 20 0 GAADLO Cn1nc2c(c1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)CS(=O)(=O)CC2 ZINC001584932078 1076052602 /nfs/dbraw/zinc/05/26/02/1076052602.db2.gz CRLAYSKFVVRLRZ-ZDUSSCGKSA-N 1 2 383.474 -1.039 20 0 GAADLO Cn1nc2c(c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)CS(=O)(=O)CC2 ZINC001584932078 1076052596 /nfs/dbraw/zinc/05/25/96/1076052596.db2.gz CRLAYSKFVVRLRZ-ZDUSSCGKSA-N 1 2 383.474 -1.039 20 0 GAADLO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001585207408 1076053223 /nfs/dbraw/zinc/05/32/23/1076053223.db2.gz OADMIPIJRFVSIS-AWEZNQCLSA-N 1 2 392.464 -1.666 20 0 GAADLO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001585207408 1076053218 /nfs/dbraw/zinc/05/32/18/1076053218.db2.gz OADMIPIJRFVSIS-AWEZNQCLSA-N 1 2 392.464 -1.666 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001585207571 1076053243 /nfs/dbraw/zinc/05/32/43/1076053243.db2.gz RTAFJDWBYJIGFQ-UHFFFAOYSA-N 1 2 384.462 -1.173 20 0 GAADLO NS(=O)(=O)c1n[nH]cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001585207571 1076053235 /nfs/dbraw/zinc/05/32/35/1076053235.db2.gz RTAFJDWBYJIGFQ-UHFFFAOYSA-N 1 2 384.462 -1.173 20 0 GAADLO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3c[nH]nc3S(N)(=O)=O)CC2)CC1 ZINC001585236507 1076053155 /nfs/dbraw/zinc/05/31/55/1076053155.db2.gz CMRFUYGCVLCJLJ-UHFFFAOYSA-N 1 2 385.450 -1.818 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001586016302 1076054085 /nfs/dbraw/zinc/05/40/85/1076054085.db2.gz QXZSPCDTBWCXLT-AAEUAGOBSA-N 1 2 384.458 -1.413 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001586016302 1076054078 /nfs/dbraw/zinc/05/40/78/1076054078.db2.gz QXZSPCDTBWCXLT-AAEUAGOBSA-N 1 2 384.458 -1.413 20 0 GAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001586016303 1076054054 /nfs/dbraw/zinc/05/40/54/1076054054.db2.gz QXZSPCDTBWCXLT-DGCLKSJQSA-N 1 2 384.458 -1.413 20 0 GAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001586016303 1076054049 /nfs/dbraw/zinc/05/40/49/1076054049.db2.gz QXZSPCDTBWCXLT-DGCLKSJQSA-N 1 2 384.458 -1.413 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001586016304 1076054162 /nfs/dbraw/zinc/05/41/62/1076054162.db2.gz QXZSPCDTBWCXLT-WCQYABFASA-N 1 2 384.458 -1.413 20 0 GAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001586016304 1076054155 /nfs/dbraw/zinc/05/41/55/1076054155.db2.gz QXZSPCDTBWCXLT-WCQYABFASA-N 1 2 384.458 -1.413 20 0 GAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001586016305 1076054190 /nfs/dbraw/zinc/05/41/90/1076054190.db2.gz QXZSPCDTBWCXLT-YPMHNXCESA-N 1 2 384.458 -1.413 20 0 GAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001586016305 1076054184 /nfs/dbraw/zinc/05/41/84/1076054184.db2.gz QXZSPCDTBWCXLT-YPMHNXCESA-N 1 2 384.458 -1.413 20 0 GAADLO C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@H](CO)C1 ZINC001586016426 1076054034 /nfs/dbraw/zinc/05/40/34/1076054034.db2.gz RLZUKUSVPSAUAA-AWEZNQCLSA-N 1 2 396.469 -1.444 20 0 GAADLO C[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@H](CO)C1 ZINC001586016426 1076054027 /nfs/dbraw/zinc/05/40/27/1076054027.db2.gz RLZUKUSVPSAUAA-AWEZNQCLSA-N 1 2 396.469 -1.444 20 0 GAADLO C[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@@H](CO)C1 ZINC001586016427 1076054136 /nfs/dbraw/zinc/05/41/36/1076054136.db2.gz RLZUKUSVPSAUAA-CQSZACIVSA-N 1 2 396.469 -1.444 20 0 GAADLO C[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@@H](CO)C1 ZINC001586016427 1076054130 /nfs/dbraw/zinc/05/41/30/1076054130.db2.gz RLZUKUSVPSAUAA-CQSZACIVSA-N 1 2 396.469 -1.444 20 0 GAADLO NS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001586035949 1076054317 /nfs/dbraw/zinc/05/43/17/1076054317.db2.gz ZHWVIPDJZZYIHM-KGLIPLIRSA-N 1 2 376.479 -1.350 20 0 GAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)cn1C ZINC001586675493 1076055270 /nfs/dbraw/zinc/05/52/70/1076055270.db2.gz IATPCLFCGOVUHQ-CYBMUJFWSA-N 1 2 381.462 -1.087 20 0 GAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)cn1C ZINC001586675495 1076055284 /nfs/dbraw/zinc/05/52/84/1076055284.db2.gz IATPCLFCGOVUHQ-ZDUSSCGKSA-N 1 2 381.462 -1.087 20 0 GAADLO Cn1cc(C2=NO[C@@H](C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC001586753955 1076055322 /nfs/dbraw/zinc/05/53/22/1076055322.db2.gz GMNMQXJZMDXKGM-GDBMZVCRSA-N 1 2 390.444 -1.038 20 0 GAADLO Cn1cc(C2=NO[C@@H](C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC001586753956 1076055219 /nfs/dbraw/zinc/05/52/19/1076055219.db2.gz GMNMQXJZMDXKGM-GOEBONIOSA-N 1 2 390.444 -1.038 20 0 GAADLO Cn1cc(C2=NO[C@H](C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC001586753957 1076055194 /nfs/dbraw/zinc/05/51/94/1076055194.db2.gz GMNMQXJZMDXKGM-HOCLYGCPSA-N 1 2 390.444 -1.038 20 0 GAADLO Cn1cc(C2=NO[C@H](C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC001586753958 1076055300 /nfs/dbraw/zinc/05/53/00/1076055300.db2.gz GMNMQXJZMDXKGM-ZBFHGGJFSA-N 1 2 390.444 -1.038 20 0 GAADLO COC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CS(=O)(=O)C1 ZINC001586754565 1076055361 /nfs/dbraw/zinc/05/53/61/1076055361.db2.gz PPMLCYMDHCBSEC-GFCCVEGCSA-N 1 2 375.447 -2.151 20 0 GAADLO COC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CS(=O)(=O)C1 ZINC001586754566 1076055349 /nfs/dbraw/zinc/05/53/49/1076055349.db2.gz PPMLCYMDHCBSEC-LBPRGKRZSA-N 1 2 375.447 -2.151 20 0 GAADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC001586755218 1076055374 /nfs/dbraw/zinc/05/53/74/1076055374.db2.gz YLFRNOFHNQXEIP-CYBMUJFWSA-N 1 2 397.457 -1.608 20 0 GAADLO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC001586755219 1076055258 /nfs/dbraw/zinc/05/52/58/1076055258.db2.gz YLFRNOFHNQXEIP-ZDUSSCGKSA-N 1 2 397.457 -1.608 20 0 GAADLO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001588008221 1076057366 /nfs/dbraw/zinc/05/73/66/1076057366.db2.gz FXJOHLMWMRFWCW-KBPBESRZSA-N 1 2 399.444 -1.412 20 0 GAADLO COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001588008222 1076057290 /nfs/dbraw/zinc/05/72/90/1076057290.db2.gz FXJOHLMWMRFWCW-KGLIPLIRSA-N 1 2 399.444 -1.412 20 0 GAADLO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001588008223 1076057338 /nfs/dbraw/zinc/05/73/38/1076057338.db2.gz FXJOHLMWMRFWCW-UONOGXRCSA-N 1 2 399.444 -1.412 20 0 GAADLO COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001588008224 1076057385 /nfs/dbraw/zinc/05/73/85/1076057385.db2.gz FXJOHLMWMRFWCW-ZIAGYGMSSA-N 1 2 399.444 -1.412 20 0 GAADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC001588071897 1076057629 /nfs/dbraw/zinc/05/76/29/1076057629.db2.gz QIGBEGZSYJJDDN-UHFFFAOYSA-N 1 2 393.473 -1.125 20 0 GAADLO CC(=O)NCC(=O)NCCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001588846188 1076065782 /nfs/dbraw/zinc/06/57/82/1076065782.db2.gz OATSALZTQADHMI-UHFFFAOYSA-N 1 2 388.436 -1.579 20 0 GAADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001588865488 1076066330 /nfs/dbraw/zinc/06/63/30/1076066330.db2.gz VSWBWEMRQPSTEA-UHFFFAOYSA-N 1 2 391.436 -1.120 20 0 GAADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001588865488 1076066325 /nfs/dbraw/zinc/06/63/25/1076066325.db2.gz VSWBWEMRQPSTEA-UHFFFAOYSA-N 1 2 391.436 -1.120 20 0 GAADLO C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588943672 1076066889 /nfs/dbraw/zinc/06/68/89/1076066889.db2.gz YRELZQBGPZTYLI-GHMZBOCLSA-N 1 2 397.465 -1.404 20 0 GAADLO C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588943673 1076066821 /nfs/dbraw/zinc/06/68/21/1076066821.db2.gz YRELZQBGPZTYLI-MNOVXSKESA-N 1 2 397.465 -1.404 20 0 GAADLO C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588943674 1076066657 /nfs/dbraw/zinc/06/66/57/1076066657.db2.gz YRELZQBGPZTYLI-QWRGUYRKSA-N 1 2 397.465 -1.404 20 0 GAADLO C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588943675 1076066640 /nfs/dbraw/zinc/06/66/40/1076066640.db2.gz YRELZQBGPZTYLI-WDEREUQCSA-N 1 2 397.465 -1.404 20 0 GAADLO C[C@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)N1CC[NH2+]CC1=O ZINC001588957590 1076067336 /nfs/dbraw/zinc/06/73/36/1076067336.db2.gz JZBIDRBNLMRARD-GFCCVEGCSA-N 1 2 385.432 -1.269 20 0 GAADLO C[C@@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)N1CC[NH2+]CC1=O ZINC001588957591 1076067083 /nfs/dbraw/zinc/06/70/83/1076067083.db2.gz JZBIDRBNLMRARD-LBPRGKRZSA-N 1 2 385.432 -1.269 20 0 GAADLO C[C@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)N1CC[NH2+]CC1=O ZINC001588957666 1076067783 /nfs/dbraw/zinc/06/77/83/1076067783.db2.gz MULCYGVRRCLBOL-GFCCVEGCSA-N 1 2 385.432 -1.269 20 0 GAADLO C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)N1CC[NH2+]CC1=O ZINC001588957667 1076067797 /nfs/dbraw/zinc/06/77/97/1076067797.db2.gz MULCYGVRRCLBOL-LBPRGKRZSA-N 1 2 385.432 -1.269 20 0 GAADLO C[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001588958244 1076067667 /nfs/dbraw/zinc/06/76/67/1076067667.db2.gz YNLSPHGCNMTSMS-GFCCVEGCSA-N 1 2 388.436 -1.214 20 0 GAADLO C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001588958247 1076067691 /nfs/dbraw/zinc/06/76/91/1076067691.db2.gz YNLSPHGCNMTSMS-LBPRGKRZSA-N 1 2 388.436 -1.214 20 0 GAADLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977138 1076067769 /nfs/dbraw/zinc/06/77/69/1076067769.db2.gz FDNUUNZUZDZYAV-CHWSQXEVSA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977138 1076067763 /nfs/dbraw/zinc/06/77/63/1076067763.db2.gz FDNUUNZUZDZYAV-CHWSQXEVSA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977141 1076067866 /nfs/dbraw/zinc/06/78/66/1076067866.db2.gz FDNUUNZUZDZYAV-OLZOCXBDSA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977141 1076067863 /nfs/dbraw/zinc/06/78/63/1076067863.db2.gz FDNUUNZUZDZYAV-OLZOCXBDSA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977143 1076067556 /nfs/dbraw/zinc/06/75/56/1076067556.db2.gz FDNUUNZUZDZYAV-QWHCGFSZSA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977143 1076067549 /nfs/dbraw/zinc/06/75/49/1076067549.db2.gz FDNUUNZUZDZYAV-QWHCGFSZSA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977145 1076067826 /nfs/dbraw/zinc/06/78/26/1076067826.db2.gz FDNUUNZUZDZYAV-STQMWFEESA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588977145 1076067821 /nfs/dbraw/zinc/06/78/21/1076067821.db2.gz FDNUUNZUZDZYAV-STQMWFEESA-N 1 2 390.452 -1.458 20 0 GAADLO C[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001588978221 1076068303 /nfs/dbraw/zinc/06/83/03/1076068303.db2.gz ONORCAJAHCQUPD-JTQLQIEISA-N 1 2 376.425 -1.312 20 0 GAADLO C[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001588978223 1076068233 /nfs/dbraw/zinc/06/82/33/1076068233.db2.gz ONORCAJAHCQUPD-SNVBAGLBSA-N 1 2 376.425 -1.312 20 0 GAADLO CC(C)(C(N)=O)C(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001589065336 1076070461 /nfs/dbraw/zinc/07/04/61/1076070461.db2.gz BXFICRWHDHBGJI-UHFFFAOYSA-N 1 2 388.436 -1.594 20 0 GAADLO CC(C)(C(N)=O)[NH+]1CCN(c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1 ZINC001589065525 1076070324 /nfs/dbraw/zinc/07/03/24/1076070324.db2.gz HEKKMFPDJKVIMA-UHFFFAOYSA-N 1 2 394.461 -1.100 20 0 GAADLO CC(C)(C(N)=O)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001589065733 1076070400 /nfs/dbraw/zinc/07/04/00/1076070400.db2.gz NXLGBPBEPCBILN-UHFFFAOYSA-N 1 2 388.436 -1.594 20 0 GAADLO CC(C)C[NH2+]C1(CO)CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001589635887 1076071795 /nfs/dbraw/zinc/07/17/95/1076071795.db2.gz OWRQPOKZJWFSOW-UHFFFAOYSA-N 1 2 378.437 -1.169 20 0 GAADLO CC(C)C[NH2+]C1(CO)CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC001589636046 1076071733 /nfs/dbraw/zinc/07/17/33/1076071733.db2.gz YOCSWIWGNSAPCX-UHFFFAOYSA-N 1 2 392.464 -1.159 20 0 GAADLO CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001589711610 1076071594 /nfs/dbraw/zinc/07/15/94/1076071594.db2.gz AXSJZRSQHHZLNK-MCIONIFRSA-N 1 2 388.432 -1.021 20 0 GAADLO CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001589711610 1076071592 /nfs/dbraw/zinc/07/15/92/1076071592.db2.gz AXSJZRSQHHZLNK-MCIONIFRSA-N 1 2 388.432 -1.021 20 0 GAADLO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001589711611 1076071857 /nfs/dbraw/zinc/07/18/57/1076071857.db2.gz AXSJZRSQHHZLNK-RDBSUJKOSA-N 1 2 388.432 -1.021 20 0 GAADLO CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)C1=O ZINC001589711611 1076071855 /nfs/dbraw/zinc/07/18/55/1076071855.db2.gz AXSJZRSQHHZLNK-RDBSUJKOSA-N 1 2 388.432 -1.021 20 0 GAADLO C[C@H](CN(C)C(=O)CC[C@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589838548 1076074127 /nfs/dbraw/zinc/07/41/27/1076074127.db2.gz IQHDXGZGGMQEHU-BXKDBHETSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@@H](CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589838549 1076074342 /nfs/dbraw/zinc/07/43/42/1076074342.db2.gz IQHDXGZGGMQEHU-CABZTGNLSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@@H](CN(C)C(=O)CC[C@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589838550 1076074300 /nfs/dbraw/zinc/07/43/00/1076074300.db2.gz IQHDXGZGGMQEHU-JOYOIKCWSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@H](CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589838551 1076074312 /nfs/dbraw/zinc/07/43/12/1076074312.db2.gz IQHDXGZGGMQEHU-SKDRFNHKSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001589847881 1076075164 /nfs/dbraw/zinc/07/51/64/1076075164.db2.gz LUGXMVYPBRDSOG-GFCCVEGCSA-N 1 2 375.437 -1.035 20 0 GAADLO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001589847886 1076075137 /nfs/dbraw/zinc/07/51/37/1076075137.db2.gz LUGXMVYPBRDSOG-LBPRGKRZSA-N 1 2 375.437 -1.035 20 0 GAADLO C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589855907 1076075899 /nfs/dbraw/zinc/07/58/99/1076075899.db2.gz SQHGOKURGHPKNM-BXKDBHETSA-N 1 2 387.404 -1.164 20 0 GAADLO C[C@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589855908 1076075865 /nfs/dbraw/zinc/07/58/65/1076075865.db2.gz SQHGOKURGHPKNM-CABZTGNLSA-N 1 2 387.404 -1.164 20 0 GAADLO C[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589855909 1076075758 /nfs/dbraw/zinc/07/57/58/1076075758.db2.gz SQHGOKURGHPKNM-JOYOIKCWSA-N 1 2 387.404 -1.164 20 0 GAADLO C[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589855910 1076075929 /nfs/dbraw/zinc/07/59/29/1076075929.db2.gz SQHGOKURGHPKNM-SKDRFNHKSA-N 1 2 387.404 -1.164 20 0 GAADLO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001589879570 1076076600 /nfs/dbraw/zinc/07/66/00/1076076600.db2.gz KNIRZTRFJOVQOZ-BXKDBHETSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001589879573 1076076665 /nfs/dbraw/zinc/07/66/65/1076076665.db2.gz KNIRZTRFJOVQOZ-CABZTGNLSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001589879576 1076076698 /nfs/dbraw/zinc/07/66/98/1076076698.db2.gz KNIRZTRFJOVQOZ-JOYOIKCWSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001589879579 1076076586 /nfs/dbraw/zinc/07/65/86/1076076586.db2.gz KNIRZTRFJOVQOZ-SKDRFNHKSA-N 1 2 387.404 -1.069 20 0 GAADLO C[C@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC001590290659 1076089596 /nfs/dbraw/zinc/08/95/96/1076089596.db2.gz BMBNMYWPTFLBDY-JTQLQIEISA-N 1 2 392.420 -1.567 20 0 GAADLO C[C@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+]1CC(C)(C)O ZINC001590290659 1076089589 /nfs/dbraw/zinc/08/95/89/1076089589.db2.gz BMBNMYWPTFLBDY-JTQLQIEISA-N 1 2 392.420 -1.567 20 0 GAADLO C[C@@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC001590290660 1076089542 /nfs/dbraw/zinc/08/95/42/1076089542.db2.gz BMBNMYWPTFLBDY-SNVBAGLBSA-N 1 2 392.420 -1.567 20 0 GAADLO C[C@@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+]1CC(C)(C)O ZINC001590290660 1076089532 /nfs/dbraw/zinc/08/95/32/1076089532.db2.gz BMBNMYWPTFLBDY-SNVBAGLBSA-N 1 2 392.420 -1.567 20 0 GAADLO C[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@H+]1CC(C)(C)O ZINC001590291800 1076090280 /nfs/dbraw/zinc/09/02/80/1076090280.db2.gz PYJMFQDZPINXSW-LLVKDONJSA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@@H+]1CC(C)(C)O ZINC001590291800 1076090274 /nfs/dbraw/zinc/09/02/74/1076090274.db2.gz PYJMFQDZPINXSW-LLVKDONJSA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@H+]1CC(C)(C)O ZINC001590291801 1076090038 /nfs/dbraw/zinc/09/00/38/1076090038.db2.gz PYJMFQDZPINXSW-NSHDSACASA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@@H+]1CC(C)(C)O ZINC001590291801 1076090032 /nfs/dbraw/zinc/09/00/32/1076090032.db2.gz PYJMFQDZPINXSW-NSHDSACASA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001590303006 1076090570 /nfs/dbraw/zinc/09/05/70/1076090570.db2.gz DKBFUTZGIXSKLV-LLVKDONJSA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001590303006 1076090565 /nfs/dbraw/zinc/09/05/65/1076090565.db2.gz DKBFUTZGIXSKLV-LLVKDONJSA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001590303009 1076090513 /nfs/dbraw/zinc/09/05/13/1076090513.db2.gz DKBFUTZGIXSKLV-NSHDSACASA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001590303009 1076090508 /nfs/dbraw/zinc/09/05/08/1076090508.db2.gz DKBFUTZGIXSKLV-NSHDSACASA-N 1 2 378.441 -1.055 20 0 GAADLO C[C@@H]1C[NH+](CCCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@@H](C)O1 ZINC001590303459 1076090718 /nfs/dbraw/zinc/09/07/18/1076090718.db2.gz HGDXQFCNMBBMNP-GHMZBOCLSA-N 1 2 392.420 -1.256 20 0 GAADLO C[C@@H]1C[N@H+](CCCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC001590303464 1076090432 /nfs/dbraw/zinc/09/04/32/1076090432.db2.gz HGDXQFCNMBBMNP-PHIMTYICSA-N 1 2 392.420 -1.256 20 0 GAADLO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC001590303464 1076090427 /nfs/dbraw/zinc/09/04/27/1076090427.db2.gz HGDXQFCNMBBMNP-PHIMTYICSA-N 1 2 392.420 -1.256 20 0 GAADLO C[C@H]1C[NH+](CCCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C[C@H](C)O1 ZINC001590303467 1076090468 /nfs/dbraw/zinc/09/04/68/1076090468.db2.gz HGDXQFCNMBBMNP-QWRGUYRKSA-N 1 2 392.420 -1.256 20 0 GAADLO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001590684239 1076093556 /nfs/dbraw/zinc/09/35/56/1076093556.db2.gz UHIICPCMUGWOSN-UHFFFAOYSA-N 1 2 390.452 -1.093 20 0 GAADLO CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001590713381 1076094626 /nfs/dbraw/zinc/09/46/26/1076094626.db2.gz YGKFBIVZGZIEOD-GFCCVEGCSA-N 1 2 387.404 -1.068 20 0 GAADLO CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001590713382 1076094727 /nfs/dbraw/zinc/09/47/27/1076094727.db2.gz YGKFBIVZGZIEOD-LBPRGKRZSA-N 1 2 387.404 -1.068 20 0 GAADLO CC[NH+]1CCN(C2CN(c3c(-c4nn[nH]n4)c(=O)n(C)c(=O)n3C)C2)CC1 ZINC001590735044 1076095016 /nfs/dbraw/zinc/09/50/16/1076095016.db2.gz OGPQUZNCOLFKOR-UHFFFAOYSA-N 1 2 375.437 -1.910 20 0 GAADLO CC[N@H+]1CC[C@H]2OCCN(c3c(-c4nn[nH]n4)c(=O)n(C)c(=O)n3C)[C@H]2C1 ZINC001590735798 1076095217 /nfs/dbraw/zinc/09/52/17/1076095217.db2.gz GDSVIOMGQWAFPX-WDEREUQCSA-N 1 2 376.421 -1.437 20 0 GAADLO CC[N@@H+]1CC[C@H]2OCCN(c3c(-c4nn[nH]n4)c(=O)n(C)c(=O)n3C)[C@H]2C1 ZINC001590735798 1076095212 /nfs/dbraw/zinc/09/52/12/1076095212.db2.gz GDSVIOMGQWAFPX-WDEREUQCSA-N 1 2 376.421 -1.437 20 0 GAADLO CCNC(=O)C[NH+]1CCN(c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1 ZINC001590741616 1076096311 /nfs/dbraw/zinc/09/63/11/1076096311.db2.gz BOZSMVJYDAQBON-UHFFFAOYSA-N 1 2 394.461 -1.228 20 0 GAADLO CCNC(=O)CC(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001590743690 1076097247 /nfs/dbraw/zinc/09/72/47/1076097247.db2.gz XGWNXUGWZNSPDB-UHFFFAOYSA-N 1 2 388.436 -1.579 20 0 GAADLO CCO[C@@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+](C)C ZINC001590785199 1076098691 /nfs/dbraw/zinc/09/86/91/1076098691.db2.gz FSPAHORZHXQCFI-JTQLQIEISA-N 1 2 395.424 -1.605 20 0 GAADLO CCO[C@H](CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C[NH+](C)C ZINC001590785200 1076098514 /nfs/dbraw/zinc/09/85/14/1076098514.db2.gz FSPAHORZHXQCFI-SNVBAGLBSA-N 1 2 395.424 -1.605 20 0 GAADLO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)CC1 ZINC001590898813 990849364 /nfs/dbraw/zinc/84/93/64/990849364.db2.gz XDQIPBBFIOYKEV-UHFFFAOYSA-N 1 2 384.477 -1.091 20 0 GAADLO CCc1nc(-c2nn[nH]n2)cc(N2CC[NH+](CCNC(=O)CC(N)=O)CC2)n1 ZINC001590908469 1076102513 /nfs/dbraw/zinc/10/25/13/1076102513.db2.gz RDTYIKYNCWJGHB-UHFFFAOYSA-N 1 2 388.436 -1.667 20 0 GAADLO CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1C[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001590990939 1076105755 /nfs/dbraw/zinc/10/57/55/1076105755.db2.gz CMGAOSFXONQCKY-ZDUSSCGKSA-N 1 2 388.432 -1.066 20 0 GAADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001591002394 1076106796 /nfs/dbraw/zinc/10/67/96/1076106796.db2.gz VESDOWSSNKPOQF-UHFFFAOYSA-N 1 2 391.440 -1.736 20 0 GAADLO C[NH+](C)C[C@H](CO)NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591011739 1076107390 /nfs/dbraw/zinc/10/73/90/1076107390.db2.gz HLFXCOZFFBKDCS-CYBMUJFWSA-N 1 2 382.446 -1.180 20 0 GAADLO C[NH+](C)C[C@@H](CO)NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591011740 1076107801 /nfs/dbraw/zinc/10/78/01/1076107801.db2.gz HLFXCOZFFBKDCS-ZDUSSCGKSA-N 1 2 382.446 -1.180 20 0 GAADLO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591014162 1076107823 /nfs/dbraw/zinc/10/78/23/1076107823.db2.gz QCFAEYWTYFNVOI-HNNXBMFYSA-N 1 2 378.393 -1.956 20 0 GAADLO C[NH+](C)C[C@]1(O)CCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591014163 1076107788 /nfs/dbraw/zinc/10/77/88/1076107788.db2.gz QCFAEYWTYFNVOI-OAHLLOKOSA-N 1 2 378.393 -1.956 20 0 GAADLO C[NH+](C)CCCNC(=S)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591016404 1076107871 /nfs/dbraw/zinc/10/78/71/1076107871.db2.gz UJMXCGADHAHRFH-UHFFFAOYSA-N 1 2 379.450 -1.188 20 0 GAADLO CN(CC[NH+](C)C)C(=O)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591017530 1076107782 /nfs/dbraw/zinc/10/77/82/1076107782.db2.gz PUERVVGNHMCZEU-UHFFFAOYSA-N 1 2 391.392 -2.468 20 0 GAADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591017984 1076108578 /nfs/dbraw/zinc/10/85/78/1076108578.db2.gz ZTBOSWQUORIVEM-UHFFFAOYSA-N 1 2 393.408 -2.393 20 0 GAADLO C[NH+](C)CCOCCNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591021065 1076108551 /nfs/dbraw/zinc/10/85/51/1076108551.db2.gz VDSMORGXTVVQKB-UHFFFAOYSA-N 1 2 393.408 -1.727 20 0 GAADLO C[NH+](C)CCn1nccc1C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591021072 1076108477 /nfs/dbraw/zinc/10/84/77/1076108477.db2.gz BLRCLRGRXDPTGC-UHFFFAOYSA-N 1 2 388.392 -1.683 20 0 GAADLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)C1 ZINC001591023189 1076108804 /nfs/dbraw/zinc/10/88/04/1076108804.db2.gz MMIRJIRAYANIPE-UHFFFAOYSA-N 1 2 378.422 -1.510 20 0 GAADLO CN(C)c1noc(C[NH2+]CCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001591038566 1076110523 /nfs/dbraw/zinc/11/05/23/1076110523.db2.gz YTWKXRGFJAVQCM-UHFFFAOYSA-N 1 2 390.408 -1.132 20 0 GAADLO CN(C)c1noc(C[NH2+]CCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001591038569 1076110473 /nfs/dbraw/zinc/11/04/73/1076110473.db2.gz YVUAUCQYMHKDTH-UHFFFAOYSA-N 1 2 390.408 -1.132 20 0 GAADLO CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001591089666 1076116851 /nfs/dbraw/zinc/11/68/51/1076116851.db2.gz SZCZMQVSVKOZOD-GFCCVEGCSA-N 1 2 387.404 -1.068 20 0 GAADLO CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001591089667 1076116914 /nfs/dbraw/zinc/11/69/14/1076116914.db2.gz SZCZMQVSVKOZOD-LBPRGKRZSA-N 1 2 387.404 -1.068 20 0 GAADLO CN(CCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001591095896 1076117303 /nfs/dbraw/zinc/11/73/03/1076117303.db2.gz HIOIMUAHKVHMFC-OLZOCXBDSA-N 1 2 399.459 -1.037 20 0 GAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)S(C)(=O)=O ZINC001591096032 1076117351 /nfs/dbraw/zinc/11/73/51/1076117351.db2.gz ZRWVDQCWLHJGGS-NEPJUHHUSA-N 1 2 398.449 -2.139 20 0 GAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)S(C)(=O)=O ZINC001591096032 1076117348 /nfs/dbraw/zinc/11/73/48/1076117348.db2.gz ZRWVDQCWLHJGGS-NEPJUHHUSA-N 1 2 398.449 -2.139 20 0 GAADLO CN(CCNC(=O)CCn1cc[nH]c(=O)c1=O)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591097555 1076117878 /nfs/dbraw/zinc/11/78/78/1076117878.db2.gz BGLIWZWWLLNSPI-UHFFFAOYSA-N 1 2 385.388 -1.246 20 0 GAADLO Cn1[nH]c(C[N@@H+](C)CCOCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nc1=O ZINC001591110255 1076119806 /nfs/dbraw/zinc/11/98/06/1076119806.db2.gz DTOCUPCYEDMZLE-UHFFFAOYSA-N 1 2 390.408 -1.505 20 0 GAADLO Cn1[nH]c(C[N@H+](C)CCOCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nc1=O ZINC001591110255 1076119803 /nfs/dbraw/zinc/11/98/03/1076119803.db2.gz DTOCUPCYEDMZLE-UHFFFAOYSA-N 1 2 390.408 -1.505 20 0 GAADLO Cn1[nH]c(C[N@@H+](C)CCOCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001591110393 1076119864 /nfs/dbraw/zinc/11/98/64/1076119864.db2.gz GPOAIWMYLPFXFQ-UHFFFAOYSA-N 1 2 390.408 -1.505 20 0 GAADLO Cn1[nH]c(C[N@H+](C)CCOCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1=O ZINC001591110393 1076119859 /nfs/dbraw/zinc/11/98/59/1076119859.db2.gz GPOAIWMYLPFXFQ-UHFFFAOYSA-N 1 2 390.408 -1.505 20 0 GAADLO CN(CCOCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591112394 1076121312 /nfs/dbraw/zinc/12/13/12/1076121312.db2.gz KNABKJREVANRBI-UHFFFAOYSA-N 1 2 390.408 -1.505 20 0 GAADLO CN(CCOCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001591112865 1076121696 /nfs/dbraw/zinc/12/16/96/1076121696.db2.gz PUNCRIDJXRFQJE-UHFFFAOYSA-N 1 2 390.408 -1.505 20 0 GAADLO C[NH+]1CCC2(CC1)CN(C(=O)Cn1cc(-c3nn[nH]n3)c(=O)[nH]c1=O)CCO2 ZINC001591181823 1076132661 /nfs/dbraw/zinc/13/26/61/1076132661.db2.gz KGFPQFXDJUFUFA-UHFFFAOYSA-N 1 2 390.404 -1.548 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c1=O ZINC001591184581 1076132728 /nfs/dbraw/zinc/13/27/28/1076132728.db2.gz DHSJJAFXQZJXSB-LLVKDONJSA-N 1 2 375.437 -1.530 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c1=O ZINC001591184581 1076132726 /nfs/dbraw/zinc/13/27/26/1076132726.db2.gz DHSJJAFXQZJXSB-LLVKDONJSA-N 1 2 375.437 -1.530 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c1=O ZINC001591184582 1076132613 /nfs/dbraw/zinc/13/26/13/1076132613.db2.gz DHSJJAFXQZJXSB-NSHDSACASA-N 1 2 375.437 -1.530 20 0 GAADLO Cn1c(=O)[nH]c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(-c2nn[nH]n2)c1=O ZINC001591184582 1076132610 /nfs/dbraw/zinc/13/26/10/1076132610.db2.gz DHSJJAFXQZJXSB-NSHDSACASA-N 1 2 375.437 -1.530 20 0 GAADLO C[N@H+]1CCC[C@@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591185273 1076133333 /nfs/dbraw/zinc/13/33/33/1076133333.db2.gz KMEJHMHPZFHQMV-SECBINFHSA-N 1 2 375.393 -1.211 20 0 GAADLO C[N@@H+]1CCC[C@@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591185273 1076133331 /nfs/dbraw/zinc/13/33/31/1076133331.db2.gz KMEJHMHPZFHQMV-SECBINFHSA-N 1 2 375.393 -1.211 20 0 GAADLO C[N@H+]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591185274 1076133152 /nfs/dbraw/zinc/13/31/52/1076133152.db2.gz KMEJHMHPZFHQMV-VIFPVBQESA-N 1 2 375.393 -1.211 20 0 GAADLO C[N@@H+]1CCC[C@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591185274 1076133147 /nfs/dbraw/zinc/13/31/47/1076133147.db2.gz KMEJHMHPZFHQMV-VIFPVBQESA-N 1 2 375.393 -1.211 20 0 GAADLO C[N@H+]1CCCC[C@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591188666 1076133246 /nfs/dbraw/zinc/13/32/46/1076133246.db2.gz JQUJVHKROCHXHZ-JTQLQIEISA-N 1 2 377.409 -1.088 20 0 GAADLO C[N@@H+]1CCCC[C@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591188666 1076133243 /nfs/dbraw/zinc/13/32/43/1076133243.db2.gz JQUJVHKROCHXHZ-JTQLQIEISA-N 1 2 377.409 -1.088 20 0 GAADLO C[N@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591188667 1076133358 /nfs/dbraw/zinc/13/33/58/1076133358.db2.gz JQUJVHKROCHXHZ-SNVBAGLBSA-N 1 2 377.409 -1.088 20 0 GAADLO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591188667 1076133356 /nfs/dbraw/zinc/13/33/56/1076133356.db2.gz JQUJVHKROCHXHZ-SNVBAGLBSA-N 1 2 377.409 -1.088 20 0 GAADLO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001591189396 1076133284 /nfs/dbraw/zinc/13/32/84/1076133284.db2.gz DUOQLUQTBJESMA-UHFFFAOYSA-N 1 2 380.434 -1.344 20 0 GAADLO C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC001591190446 1076133599 /nfs/dbraw/zinc/13/35/99/1076133599.db2.gz BOHGFYARTAPEKE-UHFFFAOYSA-N 1 2 385.432 -1.316 20 0 GAADLO CN1CCN(CC(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1=O ZINC001591191241 1076133752 /nfs/dbraw/zinc/13/37/52/1076133752.db2.gz AXPOPWPUIQPUCV-UHFFFAOYSA-N 1 2 384.444 -1.059 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCCN2CC[N@@H+](C)C(C)(C)C2)n(C)c1=O ZINC001591192084 1076134260 /nfs/dbraw/zinc/13/42/60/1076134260.db2.gz CWOQOFBXWLAYCM-UHFFFAOYSA-N 1 2 377.453 -1.298 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(NCCN2CC[N@H+](C)C(C)(C)C2)n(C)c1=O ZINC001591192084 1076134257 /nfs/dbraw/zinc/13/42/57/1076134257.db2.gz CWOQOFBXWLAYCM-UHFFFAOYSA-N 1 2 377.453 -1.298 20 0 GAADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001591192223 1076134391 /nfs/dbraw/zinc/13/43/91/1076134391.db2.gz UQMZSUAMAFGITO-LLVKDONJSA-N 1 2 391.484 -1.008 20 0 GAADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001591192223 1076134389 /nfs/dbraw/zinc/13/43/89/1076134389.db2.gz UQMZSUAMAFGITO-LLVKDONJSA-N 1 2 391.484 -1.008 20 0 GAADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001591192224 1076134271 /nfs/dbraw/zinc/13/42/71/1076134271.db2.gz UQMZSUAMAFGITO-NSHDSACASA-N 1 2 391.484 -1.008 20 0 GAADLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001591192224 1076134268 /nfs/dbraw/zinc/13/42/68/1076134268.db2.gz UQMZSUAMAFGITO-NSHDSACASA-N 1 2 391.484 -1.008 20 0 GAADLO CN1CC[NH+](CCCCNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001591192304 1076134325 /nfs/dbraw/zinc/13/43/25/1076134325.db2.gz FCMKYYUNDKKZHO-UHFFFAOYSA-N 1 2 377.457 -1.215 20 0 GAADLO CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001591194109 1076134945 /nfs/dbraw/zinc/13/49/45/1076134945.db2.gz DAQYKSCFAKTHAM-GFCCVEGCSA-N 1 2 391.436 -1.704 20 0 GAADLO CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001591194109 1076134942 /nfs/dbraw/zinc/13/49/42/1076134942.db2.gz DAQYKSCFAKTHAM-GFCCVEGCSA-N 1 2 391.436 -1.704 20 0 GAADLO CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001591194110 1076134866 /nfs/dbraw/zinc/13/48/66/1076134866.db2.gz DAQYKSCFAKTHAM-LBPRGKRZSA-N 1 2 391.436 -1.704 20 0 GAADLO CN(CCOCCNc1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001591194110 1076134862 /nfs/dbraw/zinc/13/48/62/1076134862.db2.gz DAQYKSCFAKTHAM-LBPRGKRZSA-N 1 2 391.436 -1.704 20 0 GAADLO CN(CCOCCNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001591194405 1076134958 /nfs/dbraw/zinc/13/49/58/1076134958.db2.gz MUKCHVOGIRTQHA-CYBMUJFWSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001591194405 1076134954 /nfs/dbraw/zinc/13/49/54/1076134954.db2.gz MUKCHVOGIRTQHA-CYBMUJFWSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001591194406 1076134817 /nfs/dbraw/zinc/13/48/17/1076134817.db2.gz MUKCHVOGIRTQHA-ZDUSSCGKSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1ccc(-c2nn[nH]n2)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001591194406 1076134814 /nfs/dbraw/zinc/13/48/14/1076134814.db2.gz MUKCHVOGIRTQHA-ZDUSSCGKSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001591194474 1076134715 /nfs/dbraw/zinc/13/47/15/1076134715.db2.gz RRXQJQRXLNKRHB-HNNXBMFYSA-N 1 2 390.448 -1.099 20 0 GAADLO CN(CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001591194475 1076134988 /nfs/dbraw/zinc/13/49/88/1076134988.db2.gz RRXQJQRXLNKRHB-OAHLLOKOSA-N 1 2 390.448 -1.099 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NCCOCCCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591194608 1076134832 /nfs/dbraw/zinc/13/48/32/1076134832.db2.gz BCBNXAMQJYMICI-GFCCVEGCSA-N 1 2 391.436 -1.656 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NCCOCCCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591194608 1076134828 /nfs/dbraw/zinc/13/48/28/1076134828.db2.gz BCBNXAMQJYMICI-GFCCVEGCSA-N 1 2 391.436 -1.656 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NCCOCCCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591194609 1076134728 /nfs/dbraw/zinc/13/47/28/1076134728.db2.gz BCBNXAMQJYMICI-LBPRGKRZSA-N 1 2 391.436 -1.656 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NCCOCCCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591194609 1076134725 /nfs/dbraw/zinc/13/47/25/1076134725.db2.gz BCBNXAMQJYMICI-LBPRGKRZSA-N 1 2 391.436 -1.656 20 0 GAADLO CN1CCO[C@H](C(=O)NCCOCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591194818 1076135234 /nfs/dbraw/zinc/13/52/34/1076135234.db2.gz JHXNRXJBKFYPHI-HNNXBMFYSA-N 1 2 390.448 -1.051 20 0 GAADLO CN1CCO[C@@H](C(=O)NCCOCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591194819 1076135446 /nfs/dbraw/zinc/13/54/46/1076135446.db2.gz JHXNRXJBKFYPHI-OAHLLOKOSA-N 1 2 390.448 -1.051 20 0 GAADLO CN(CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001591194864 1076135279 /nfs/dbraw/zinc/13/52/79/1076135279.db2.gz KJZZNEXKRCLBHI-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO CN(CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001591194864 1076135276 /nfs/dbraw/zinc/13/52/76/1076135276.db2.gz KJZZNEXKRCLBHI-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO CN(CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001591194865 1076135218 /nfs/dbraw/zinc/13/52/18/1076135218.db2.gz KJZZNEXKRCLBHI-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO CN(CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001591194865 1076135216 /nfs/dbraw/zinc/13/52/16/1076135216.db2.gz KJZZNEXKRCLBHI-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)C1 ZINC001591194888 1076135321 /nfs/dbraw/zinc/13/53/21/1076135321.db2.gz LKLVGFFDSHVKMR-JHJVBQTASA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)C1 ZINC001591194888 1076135317 /nfs/dbraw/zinc/13/53/17/1076135317.db2.gz LKLVGFFDSHVKMR-JHJVBQTASA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)C1 ZINC001591194889 1076135352 /nfs/dbraw/zinc/13/53/52/1076135352.db2.gz LKLVGFFDSHVKMR-UPJWGTAASA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)C1 ZINC001591194889 1076135347 /nfs/dbraw/zinc/13/53/47/1076135347.db2.gz LKLVGFFDSHVKMR-UPJWGTAASA-N 1 2 392.395 -1.603 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195052 1076135264 /nfs/dbraw/zinc/13/52/64/1076135264.db2.gz QHERCDWQPMLQID-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195052 1076135262 /nfs/dbraw/zinc/13/52/62/1076135262.db2.gz QHERCDWQPMLQID-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195053 1076135336 /nfs/dbraw/zinc/13/53/36/1076135336.db2.gz QHERCDWQPMLQID-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195053 1076135332 /nfs/dbraw/zinc/13/53/32/1076135332.db2.gz QHERCDWQPMLQID-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195054 1076135392 /nfs/dbraw/zinc/13/53/92/1076135392.db2.gz QHERCDWQPMLQID-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195054 1076135390 /nfs/dbraw/zinc/13/53/90/1076135390.db2.gz QHERCDWQPMLQID-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195055 1076135464 /nfs/dbraw/zinc/13/54/64/1076135464.db2.gz QHERCDWQPMLQID-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001591195055 1076135461 /nfs/dbraw/zinc/13/54/61/1076135461.db2.gz QHERCDWQPMLQID-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NCCOCCCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001591195150 1076135817 /nfs/dbraw/zinc/13/58/17/1076135817.db2.gz URNIWLAQPKZLAR-CYBMUJFWSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NCCOCCCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001591195150 1076135815 /nfs/dbraw/zinc/13/58/15/1076135815.db2.gz URNIWLAQPKZLAR-CYBMUJFWSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NCCOCCCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001591195151 1076135797 /nfs/dbraw/zinc/13/57/97/1076135797.db2.gz URNIWLAQPKZLAR-ZDUSSCGKSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NCCOCCCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001591195151 1076135792 /nfs/dbraw/zinc/13/57/92/1076135792.db2.gz URNIWLAQPKZLAR-ZDUSSCGKSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NCCOCCCNc2nccnc2-c2nn[nH]n2)C1 ZINC001591195264 1076135935 /nfs/dbraw/zinc/13/59/35/1076135935.db2.gz YOINMAYLZPFSGX-GFCCVEGCSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NCCOCCCNc2nccnc2-c2nn[nH]n2)C1 ZINC001591195264 1076135933 /nfs/dbraw/zinc/13/59/33/1076135933.db2.gz YOINMAYLZPFSGX-GFCCVEGCSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NCCOCCCNc2nccnc2-c2nn[nH]n2)C1 ZINC001591195265 1076135963 /nfs/dbraw/zinc/13/59/63/1076135963.db2.gz YOINMAYLZPFSGX-LBPRGKRZSA-N 1 2 391.436 -1.078 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NCCOCCCNc2nccnc2-c2nn[nH]n2)C1 ZINC001591195265 1076135961 /nfs/dbraw/zinc/13/59/61/1076135961.db2.gz YOINMAYLZPFSGX-LBPRGKRZSA-N 1 2 391.436 -1.078 20 0 GAADLO CNC(=O)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC001591208205 1076139227 /nfs/dbraw/zinc/13/92/27/1076139227.db2.gz DYJKQMCNXTYFHB-UHFFFAOYSA-N 1 2 377.409 -2.114 20 0 GAADLO CNC(=O)Cc1noc(C[NH2+]CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001591209921 1076139838 /nfs/dbraw/zinc/13/98/38/1076139838.db2.gz ZFAGYRDTMDYPLP-UHFFFAOYSA-N 1 2 388.392 -1.272 20 0 GAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591213591 1076140222 /nfs/dbraw/zinc/14/02/22/1076140222.db2.gz FVJDDJJETUFAMT-ZDUSSCGKSA-N 1 2 397.399 -1.207 20 0 GAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591219983 1076142001 /nfs/dbraw/zinc/14/20/01/1076142001.db2.gz FXRALMSDEGDLOO-CYBMUJFWSA-N 1 2 397.461 -1.312 20 0 GAADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591219985 1076142035 /nfs/dbraw/zinc/14/20/35/1076142035.db2.gz FXRALMSDEGDLOO-ZDUSSCGKSA-N 1 2 397.461 -1.312 20 0 GAADLO CNS(=O)(=O)NCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591220042 1076142143 /nfs/dbraw/zinc/14/21/43/1076142143.db2.gz JQGNOYSXHIDUMF-UHFFFAOYSA-N 1 2 394.461 -1.435 20 0 GAADLO CNS(=O)(=O)NC1CC[NH+](Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC001591220498 1076143093 /nfs/dbraw/zinc/14/30/93/1076143093.db2.gz VLTDDPHJRUHADA-UHFFFAOYSA-N 1 2 392.449 -1.072 20 0 GAADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+](C)C1 ZINC001591255050 1076144811 /nfs/dbraw/zinc/14/48/11/1076144811.db2.gz OFPKPSKMXDEASF-LLVKDONJSA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@H+](C)C1 ZINC001591255050 1076144808 /nfs/dbraw/zinc/14/48/08/1076144808.db2.gz OFPKPSKMXDEASF-LLVKDONJSA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@@H+](C)C1 ZINC001591255052 1076144840 /nfs/dbraw/zinc/14/48/40/1076144840.db2.gz OFPKPSKMXDEASF-NSHDSACASA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC[N@H+](C)C1 ZINC001591255052 1076144836 /nfs/dbraw/zinc/14/48/36/1076144836.db2.gz OFPKPSKMXDEASF-NSHDSACASA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@@H+](C)C1 ZINC001591255060 1076144909 /nfs/dbraw/zinc/14/49/09/1076144909.db2.gz OJEQRHBZEUISHE-JTQLQIEISA-N 1 2 378.397 -1.796 20 0 GAADLO COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@H+](C)C1 ZINC001591255060 1076144905 /nfs/dbraw/zinc/14/49/05/1076144905.db2.gz OJEQRHBZEUISHE-JTQLQIEISA-N 1 2 378.397 -1.796 20 0 GAADLO COC(=O)[C@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@@H+](C)C1 ZINC001591255064 1076144747 /nfs/dbraw/zinc/14/47/47/1076144747.db2.gz OJEQRHBZEUISHE-SNVBAGLBSA-N 1 2 378.397 -1.796 20 0 GAADLO COC(=O)[C@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC[N@H+](C)C1 ZINC001591255064 1076144742 /nfs/dbraw/zinc/14/47/42/1076144742.db2.gz OJEQRHBZEUISHE-SNVBAGLBSA-N 1 2 378.397 -1.796 20 0 GAADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001591267024 1076146255 /nfs/dbraw/zinc/14/62/55/1076146255.db2.gz FOLQNQGQKUTAFU-UHFFFAOYSA-N 1 2 392.424 -2.293 20 0 GAADLO COC[C@@H](O)CN1CC[NH+](CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591380457 1076150206 /nfs/dbraw/zinc/15/02/06/1076150206.db2.gz DAKWEEJVQOBADS-AWEZNQCLSA-N 1 2 392.464 -1.060 20 0 GAADLO COC[C@H](O)CN1CC[NH+](CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591380459 1076150257 /nfs/dbraw/zinc/15/02/57/1076150257.db2.gz DAKWEEJVQOBADS-CQSZACIVSA-N 1 2 392.464 -1.060 20 0 GAADLO COC[C@@H](O)CN1CC[NH+](CCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001591381069 1076150215 /nfs/dbraw/zinc/15/02/15/1076150215.db2.gz TWVREIVILSAHTF-ZDUSSCGKSA-N 1 2 392.464 -1.060 20 0 GAADLO COCCC[N@@H+](C)CCNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591413754 1076150687 /nfs/dbraw/zinc/15/06/87/1076150687.db2.gz YGFHVPPZHFHBTK-UHFFFAOYSA-N 1 2 380.409 -1.396 20 0 GAADLO COCCC[N@H+](C)CCNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591413754 1076150682 /nfs/dbraw/zinc/15/06/82/1076150682.db2.gz YGFHVPPZHFHBTK-UHFFFAOYSA-N 1 2 380.409 -1.396 20 0 GAADLO COCC[N@@H+](C)CCCNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591420474 1076151667 /nfs/dbraw/zinc/15/16/67/1076151667.db2.gz IASYCAODZAMHDQ-UHFFFAOYSA-N 1 2 380.409 -1.396 20 0 GAADLO COCC[N@H+](C)CCCNC(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591420474 1076151665 /nfs/dbraw/zinc/15/16/65/1076151665.db2.gz IASYCAODZAMHDQ-UHFFFAOYSA-N 1 2 380.409 -1.396 20 0 GAADLO COCC[N@@H+](C)CCNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591420811 1076151633 /nfs/dbraw/zinc/15/16/33/1076151633.db2.gz QOLSCDFCJUWMTF-UHFFFAOYSA-N 1 2 393.408 -1.727 20 0 GAADLO COCC[N@H+](C)CCNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591420811 1076151631 /nfs/dbraw/zinc/15/16/31/1076151631.db2.gz QOLSCDFCJUWMTF-UHFFFAOYSA-N 1 2 393.408 -1.727 20 0 GAADLO COCC[N@@H+](CCNC(=O)C(N)=O)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001591422823 1076152200 /nfs/dbraw/zinc/15/22/00/1076152200.db2.gz FLHPWPBJWXNDMH-UHFFFAOYSA-N 1 2 377.405 -1.075 20 0 GAADLO COCC[N@H+](CCNC(=O)C(N)=O)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001591422823 1076152198 /nfs/dbraw/zinc/15/21/98/1076152198.db2.gz FLHPWPBJWXNDMH-UHFFFAOYSA-N 1 2 377.405 -1.075 20 0 GAADLO COCC[N@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591429028 1076152716 /nfs/dbraw/zinc/15/27/16/1076152716.db2.gz MTDLMXQOHDLLHZ-JTQLQIEISA-N 1 2 393.408 -1.851 20 0 GAADLO COCC[N@@H+]1CC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591429028 1076152713 /nfs/dbraw/zinc/15/27/13/1076152713.db2.gz MTDLMXQOHDLLHZ-JTQLQIEISA-N 1 2 393.408 -1.851 20 0 GAADLO COCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591429030 1076152745 /nfs/dbraw/zinc/15/27/45/1076152745.db2.gz MTDLMXQOHDLLHZ-SNVBAGLBSA-N 1 2 393.408 -1.851 20 0 GAADLO COCC[N@@H+]1CC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591429030 1076152743 /nfs/dbraw/zinc/15/27/43/1076152743.db2.gz MTDLMXQOHDLLHZ-SNVBAGLBSA-N 1 2 393.408 -1.851 20 0 GAADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001591429948 1076153161 /nfs/dbraw/zinc/15/31/61/1076153161.db2.gz PXTIIMLTUAEKGD-UHFFFAOYSA-N 1 2 380.434 -1.270 20 0 GAADLO COCCOCC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001591434113 1076153868 /nfs/dbraw/zinc/15/38/68/1076153868.db2.gz CTOWTFKREDTSHG-UHFFFAOYSA-N 1 2 391.436 -1.442 20 0 GAADLO COCCOC[C@H](O)C[NH+]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001591434450 1076153655 /nfs/dbraw/zinc/15/36/55/1076153655.db2.gz AKEATFVSSOSCRH-CYBMUJFWSA-N 1 2 379.421 -1.024 20 0 GAADLO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001591434460 1076153834 /nfs/dbraw/zinc/15/38/34/1076153834.db2.gz AKEATFVSSOSCRH-ZDUSSCGKSA-N 1 2 379.421 -1.024 20 0 GAADLO COCCOC[C@H](O)C[NH+]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591434473 1076154210 /nfs/dbraw/zinc/15/42/10/1076154210.db2.gz ASXDEHZAPKJAQH-CYBMUJFWSA-N 1 2 379.421 -1.024 20 0 GAADLO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001591434474 1076154197 /nfs/dbraw/zinc/15/41/97/1076154197.db2.gz ASXDEHZAPKJAQH-ZDUSSCGKSA-N 1 2 379.421 -1.024 20 0 GAADLO COCCOC[C@H](O)C[NH+]1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001591436124 1076155309 /nfs/dbraw/zinc/15/53/09/1076155309.db2.gz KXDGHBKQDNDTLV-CYBMUJFWSA-N 1 2 379.421 -1.025 20 0 GAADLO COCCOC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001591436127 1076155338 /nfs/dbraw/zinc/15/53/38/1076155338.db2.gz KXDGHBKQDNDTLV-ZDUSSCGKSA-N 1 2 379.421 -1.025 20 0 GAADLO COCCOC[C@H](O)C[NH+]1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001591436630 1076155131 /nfs/dbraw/zinc/15/51/31/1076155131.db2.gz OUXWWZPZWILPGF-CYBMUJFWSA-N 1 2 379.421 -1.025 20 0 GAADLO COCCOC[C@@H](O)C[NH+]1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001591436631 1076155275 /nfs/dbraw/zinc/15/52/75/1076155275.db2.gz OUXWWZPZWILPGF-ZDUSSCGKSA-N 1 2 379.421 -1.025 20 0 GAADLO COCCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001591437638 1076155494 /nfs/dbraw/zinc/15/54/94/1076155494.db2.gz VVJFDLHBJFNJHB-GFCCVEGCSA-N 1 2 379.421 -1.024 20 0 GAADLO COCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001591437639 1076155522 /nfs/dbraw/zinc/15/55/22/1076155522.db2.gz VVJFDLHBJFNJHB-LBPRGKRZSA-N 1 2 379.421 -1.024 20 0 GAADLO COC[C@@H](O)CN1CC[NH+](CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001591452318 1076156485 /nfs/dbraw/zinc/15/64/85/1076156485.db2.gz HFXLLGOLWDLYDO-AWEZNQCLSA-N 1 2 392.464 -1.060 20 0 GAADLO CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591469113 1076157213 /nfs/dbraw/zinc/15/72/13/1076157213.db2.gz OWIOCTXNOBZTQA-GRYCIOLGSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591469113 1076157212 /nfs/dbraw/zinc/15/72/12/1076157212.db2.gz OWIOCTXNOBZTQA-GRYCIOLGSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591469114 1076157134 /nfs/dbraw/zinc/15/71/34/1076157134.db2.gz OWIOCTXNOBZTQA-IJLUTSLNSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001591469114 1076157132 /nfs/dbraw/zinc/15/71/32/1076157132.db2.gz OWIOCTXNOBZTQA-IJLUTSLNSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001591470720 1076158034 /nfs/dbraw/zinc/15/80/34/1076158034.db2.gz MEJUHZGVXIZOHJ-JHJVBQTASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001591470720 1076158031 /nfs/dbraw/zinc/15/80/31/1076158031.db2.gz MEJUHZGVXIZOHJ-JHJVBQTASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001591470721 1076158073 /nfs/dbraw/zinc/15/80/73/1076158073.db2.gz MEJUHZGVXIZOHJ-UPJWGTAASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001591470721 1076158070 /nfs/dbraw/zinc/15/80/70/1076158070.db2.gz MEJUHZGVXIZOHJ-UPJWGTAASA-N 1 2 389.420 -1.693 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001591559474 1076160508 /nfs/dbraw/zinc/16/05/08/1076160508.db2.gz CCBHKJDQZOJLDH-KGLIPLIRSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](NC(=O)c2cnn(C)n2)[C@@H](O)C1 ZINC001591559474 1076160503 /nfs/dbraw/zinc/16/05/03/1076160503.db2.gz CCBHKJDQZOJLDH-KGLIPLIRSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001591560174 1076160622 /nfs/dbraw/zinc/16/06/22/1076160622.db2.gz YXCMDBVJZUKDIS-TZMCWYRMSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001591560174 1076160619 /nfs/dbraw/zinc/16/06/19/1076160619.db2.gz YXCMDBVJZUKDIS-TZMCWYRMSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001591589310 1076161082 /nfs/dbraw/zinc/16/10/82/1076161082.db2.gz DDSOALLKYHPXOH-OCCSQVGLSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnnn3C)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001591589310 1076161077 /nfs/dbraw/zinc/16/10/77/1076161077.db2.gz DDSOALLKYHPXOH-OCCSQVGLSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnnn3C)C2)cc1-c1nn[nH]n1 ZINC001591589313 1076161673 /nfs/dbraw/zinc/16/16/73/1076161673.db2.gz DDSOALLKYHPXOH-TZMCWYRMSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnnn3C)C2)cc1-c1nn[nH]n1 ZINC001591589313 1076161670 /nfs/dbraw/zinc/16/16/70/1076161670.db2.gz DDSOALLKYHPXOH-TZMCWYRMSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)cc1-c1nn[nH]n1 ZINC001591589362 1076161601 /nfs/dbraw/zinc/16/16/01/1076161601.db2.gz DQGLEUCDTAWYAO-CHWSQXEVSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncn(C)n3)C2)cc1-c1nn[nH]n1 ZINC001591589362 1076161597 /nfs/dbraw/zinc/16/15/97/1076161597.db2.gz DQGLEUCDTAWYAO-CHWSQXEVSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)n3)C2)cc1-c1nn[nH]n1 ZINC001591590024 1076161417 /nfs/dbraw/zinc/16/14/17/1076161417.db2.gz RHNJHKCAEOUEHR-ZIAGYGMSSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnn(C)n3)C2)cc1-c1nn[nH]n1 ZINC001591590024 1076161412 /nfs/dbraw/zinc/16/14/12/1076161412.db2.gz RHNJHKCAEOUEHR-ZIAGYGMSSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)cc1-c1nn[nH]n1 ZINC001591590209 1076161481 /nfs/dbraw/zinc/16/14/81/1076161481.db2.gz ZINSYRPQJDRWOU-CHWSQXEVSA-N 1 2 399.415 -1.103 20 0 GAADLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)cc1-c1nn[nH]n1 ZINC001591590209 1076161477 /nfs/dbraw/zinc/16/14/77/1076161477.db2.gz ZINSYRPQJDRWOU-CHWSQXEVSA-N 1 2 399.415 -1.103 20 0 GAADLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001591590210 1076161543 /nfs/dbraw/zinc/16/15/43/1076161543.db2.gz ZINSYRPQJDRWOU-OLZOCXBDSA-N 1 2 399.415 -1.103 20 0 GAADLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3nc[nH]n3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001591590210 1076161539 /nfs/dbraw/zinc/16/15/39/1076161539.db2.gz ZINSYRPQJDRWOU-OLZOCXBDSA-N 1 2 399.415 -1.103 20 0 GAADLO COc1c[nH+]ccc1N1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC001591658922 1076162197 /nfs/dbraw/zinc/16/21/97/1076162197.db2.gz JPLMCVAXGKLMAP-UHFFFAOYSA-N 1 2 399.415 -1.006 20 0 GAADLO C[C@@H](CCNC(=O)CC[C@@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591721506 1076166427 /nfs/dbraw/zinc/16/64/27/1076166427.db2.gz NIMMHTUBZQZNOO-CABZTGNLSA-N 1 2 387.404 -1.022 20 0 GAADLO C[C@@H](CCNC(=O)CC[C@H]1NC(=O)NC1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591721507 1076166388 /nfs/dbraw/zinc/16/63/88/1076166388.db2.gz NIMMHTUBZQZNOO-JOYOIKCWSA-N 1 2 387.404 -1.022 20 0 GAADLO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001591764697 1076170384 /nfs/dbraw/zinc/17/03/84/1076170384.db2.gz RVDSHFHMOJGDJW-SNVBAGLBSA-N 1 2 385.388 -1.460 20 0 GAADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 ZINC001591773158 1076170568 /nfs/dbraw/zinc/17/05/68/1076170568.db2.gz FYZKSXICHFISFS-JTQLQIEISA-N 1 2 376.421 -1.057 20 0 GAADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 ZINC001591773158 1076170564 /nfs/dbraw/zinc/17/05/64/1076170564.db2.gz FYZKSXICHFISFS-JTQLQIEISA-N 1 2 376.421 -1.057 20 0 GAADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC001591773342 1076170364 /nfs/dbraw/zinc/17/03/64/1076170364.db2.gz JFUJKJBPBMROGM-NSHDSACASA-N 1 2 390.448 -1.046 20 0 GAADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC001591773342 1076170363 /nfs/dbraw/zinc/17/03/63/1076170363.db2.gz JFUJKJBPBMROGM-NSHDSACASA-N 1 2 390.448 -1.046 20 0 GAADLO Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001591787024 1076171170 /nfs/dbraw/zinc/17/11/70/1076171170.db2.gz FKIPMMXAUNGDOE-KRWDZBQOSA-N 1 2 391.432 -1.016 20 0 GAADLO Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001591787025 1076171144 /nfs/dbraw/zinc/17/11/44/1076171144.db2.gz FKIPMMXAUNGDOE-QGZVFWFLSA-N 1 2 391.432 -1.016 20 0 GAADLO Cc1cc(NC[C@@H](C)NC(=O)CC[C@@H]2NC(=O)NC2=O)c(-c2nn[nH]n2)c[nH+]1 ZINC001592051682 1076178519 /nfs/dbraw/zinc/17/85/19/1076178519.db2.gz DDHGTWRAIPGODN-KOLCDFICSA-N 1 2 387.404 -1.103 20 0 GAADLO Cc1cc(NC[C@@H](C)NC(=O)CC[C@H]2NC(=O)NC2=O)c(-c2nn[nH]n2)c[nH+]1 ZINC001592051683 1076178434 /nfs/dbraw/zinc/17/84/34/1076178434.db2.gz DDHGTWRAIPGODN-MWLCHTKSSA-N 1 2 387.404 -1.103 20 0 GAADLO Cc1cc(N[C@@H](C)CCNC(=O)C[C@@H]2NC(=O)NC2=O)c(-c2nn[nH]n2)c[nH+]1 ZINC001592054742 1076178478 /nfs/dbraw/zinc/17/84/78/1076178478.db2.gz YNOLIMUWAHFEOG-UFBFGSQYSA-N 1 2 387.404 -1.103 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001592079152 1076178992 /nfs/dbraw/zinc/17/89/92/1076178992.db2.gz LCQKDWGSOCXJTK-KGLIPLIRSA-N 1 2 399.459 -1.070 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)CCOCCO)CC2)o1 ZINC001592336992 1076180242 /nfs/dbraw/zinc/18/02/42/1076180242.db2.gz LMADEOXUZYTYQV-UHFFFAOYSA-N 1 2 394.436 -1.248 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)CCOCCO)CC2)o1 ZINC001592336992 1076180238 /nfs/dbraw/zinc/18/02/38/1076180238.db2.gz LMADEOXUZYTYQV-UHFFFAOYSA-N 1 2 394.436 -1.248 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3C[C@H](O)[C@@H](O)C3)CC2)o1 ZINC001592337047 1076180428 /nfs/dbraw/zinc/18/04/28/1076180428.db2.gz NTCJIDPMZWBJCW-QWRGUYRKSA-N 1 2 378.393 -2.151 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)o1 ZINC001592337161 1076180340 /nfs/dbraw/zinc/18/03/40/1076180340.db2.gz OOIYPNNPOHCHHU-UHFFFAOYSA-N 1 2 389.420 -1.381 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH2+]C3(C(N)=O)CC3)CC2)o1 ZINC001592337190 1076180367 /nfs/dbraw/zinc/18/03/67/1076180367.db2.gz PHSMAHKNULWVOG-UHFFFAOYSA-N 1 2 375.393 -1.581 20 0 GAADLO Cc1nn(C)c(N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)c1-c1nn[nH]n1 ZINC001592432717 1076183358 /nfs/dbraw/zinc/18/33/58/1076183358.db2.gz UNCFHHACTWBDCE-UHFFFAOYSA-N 1 2 388.480 -1.195 20 0 GAADLO Cc1nsc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c1-c1nn[nH]n1 ZINC001592476781 1076184301 /nfs/dbraw/zinc/18/43/01/1076184301.db2.gz CUVVLANUSVWSSY-OUAUKWLOSA-N 1 2 394.461 -1.372 20 0 GAADLO Cc1nsc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c1-c1nn[nH]n1 ZINC001592476781 1076184299 /nfs/dbraw/zinc/18/42/99/1076184299.db2.gz CUVVLANUSVWSSY-OUAUKWLOSA-N 1 2 394.461 -1.372 20 0 GAADLO Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c1-c1nn[nH]n1 ZINC001592476784 1076184286 /nfs/dbraw/zinc/18/42/86/1076184286.db2.gz CUVVLANUSVWSSY-VWYCJHECSA-N 1 2 394.461 -1.372 20 0 GAADLO Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c1-c1nn[nH]n1 ZINC001592476784 1076184281 /nfs/dbraw/zinc/18/42/81/1076184281.db2.gz CUVVLANUSVWSSY-VWYCJHECSA-N 1 2 394.461 -1.372 20 0 GAADLO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001592477721 1076184628 /nfs/dbraw/zinc/18/46/28/1076184628.db2.gz CUVVLANUSVWSSY-GMTAPVOTSA-N 1 2 394.461 -1.372 20 0 GAADLO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001592477721 1076184625 /nfs/dbraw/zinc/18/46/25/1076184625.db2.gz CUVVLANUSVWSSY-GMTAPVOTSA-N 1 2 394.461 -1.372 20 0 GAADLO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001592477722 1076184701 /nfs/dbraw/zinc/18/47/01/1076184701.db2.gz CUVVLANUSVWSSY-MXWKQRLJSA-N 1 2 394.461 -1.372 20 0 GAADLO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1-c1nn[nH]n1 ZINC001592477722 1076184699 /nfs/dbraw/zinc/18/46/99/1076184699.db2.gz CUVVLANUSVWSSY-MXWKQRLJSA-N 1 2 394.461 -1.372 20 0 GAADLO Cn1c(=O)[nH]c(N2CC[NH+](CC3CCOCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001592543746 1076185154 /nfs/dbraw/zinc/18/51/54/1076185154.db2.gz LFVSEHANWDQOIV-UHFFFAOYSA-N 1 2 376.421 -1.198 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1=O ZINC001592544770 1076185283 /nfs/dbraw/zinc/18/52/83/1076185283.db2.gz YXFHNBLDYSAPIB-LLVKDONJSA-N 1 2 376.421 -1.055 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1=O ZINC001592544770 1076185280 /nfs/dbraw/zinc/18/52/80/1076185280.db2.gz YXFHNBLDYSAPIB-LLVKDONJSA-N 1 2 376.421 -1.055 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1=O ZINC001592544771 1076185207 /nfs/dbraw/zinc/18/52/07/1076185207.db2.gz YXFHNBLDYSAPIB-NSHDSACASA-N 1 2 376.421 -1.055 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(-c2nn[nH]n2)c1=O ZINC001592544771 1076185204 /nfs/dbraw/zinc/18/52/04/1076185204.db2.gz YXFHNBLDYSAPIB-NSHDSACASA-N 1 2 376.421 -1.055 20 0 GAADLO Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[nH]n2)c1=O ZINC001592546356 1076185650 /nfs/dbraw/zinc/18/56/50/1076185650.db2.gz OBTOYJFVKPPFQT-SECBINFHSA-N 1 2 377.409 -1.335 20 0 GAADLO Cn1c(=O)[nH]c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[nH]n2)c1=O ZINC001592546356 1076185646 /nfs/dbraw/zinc/18/56/46/1076185646.db2.gz OBTOYJFVKPPFQT-SECBINFHSA-N 1 2 377.409 -1.335 20 0 GAADLO Cn1c(=O)[nH]c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[nH]n2)c1=O ZINC001592546357 1076185667 /nfs/dbraw/zinc/18/56/67/1076185667.db2.gz OBTOYJFVKPPFQT-VIFPVBQESA-N 1 2 377.409 -1.335 20 0 GAADLO Cn1c(=O)[nH]c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[nH]n2)c1=O ZINC001592546357 1076185665 /nfs/dbraw/zinc/18/56/65/1076185665.db2.gz OBTOYJFVKPPFQT-VIFPVBQESA-N 1 2 377.409 -1.335 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@H+]3CCCOCC3)CC2)n(C)c1=O ZINC001592553358 1076186864 /nfs/dbraw/zinc/18/68/64/1076186864.db2.gz OGDCGONSYISXRC-UHFFFAOYSA-N 1 2 390.448 -1.045 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@@H+]3CCCOCC3)CC2)n(C)c1=O ZINC001592553358 1076186862 /nfs/dbraw/zinc/18/68/62/1076186862.db2.gz OGDCGONSYISXRC-UHFFFAOYSA-N 1 2 390.448 -1.045 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553559 1076187182 /nfs/dbraw/zinc/18/71/82/1076187182.db2.gz SRIKZDYPIMTEMW-GHMZBOCLSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553559 1076187180 /nfs/dbraw/zinc/18/71/80/1076187180.db2.gz SRIKZDYPIMTEMW-GHMZBOCLSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553560 1076187134 /nfs/dbraw/zinc/18/71/34/1076187134.db2.gz SRIKZDYPIMTEMW-MNOVXSKESA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553560 1076187131 /nfs/dbraw/zinc/18/71/31/1076187131.db2.gz SRIKZDYPIMTEMW-MNOVXSKESA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553561 1076187048 /nfs/dbraw/zinc/18/70/48/1076187048.db2.gz SRIKZDYPIMTEMW-QWRGUYRKSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553561 1076187045 /nfs/dbraw/zinc/18/70/45/1076187045.db2.gz SRIKZDYPIMTEMW-QWRGUYRKSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n(C)c1=O ZINC001592553562 1076187220 /nfs/dbraw/zinc/18/72/20/1076187220.db2.gz SRIKZDYPIMTEMW-WDEREUQCSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n(C)c1=O ZINC001592553562 1076187217 /nfs/dbraw/zinc/18/72/17/1076187217.db2.gz SRIKZDYPIMTEMW-WDEREUQCSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC(C)([NH+]3CCOCC3)CC2)n(C)c1=O ZINC001592553719 1076187150 /nfs/dbraw/zinc/18/71/50/1076187150.db2.gz WUWGZNBCSMZPBF-UHFFFAOYSA-N 1 2 390.448 -1.045 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n(C)c1=O ZINC001592553732 1076187486 /nfs/dbraw/zinc/18/74/86/1076187486.db2.gz XCAJUDSYFUHVFQ-LLVKDONJSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n(C)c1=O ZINC001592553732 1076187483 /nfs/dbraw/zinc/18/74/83/1076187483.db2.gz XCAJUDSYFUHVFQ-LLVKDONJSA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n(C)c1=O ZINC001592553734 1076187515 /nfs/dbraw/zinc/18/75/15/1076187515.db2.gz XCAJUDSYFUHVFQ-NSHDSACASA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n(C)c1=O ZINC001592553734 1076187510 /nfs/dbraw/zinc/18/75/10/1076187510.db2.gz XCAJUDSYFUHVFQ-NSHDSACASA-N 1 2 376.421 -1.701 20 0 GAADLO Cn1c(C[NH+]2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)cc(=O)n(C)c1=O ZINC001592555049 1076187461 /nfs/dbraw/zinc/18/74/61/1076187461.db2.gz MLRYYXBVVYNJJN-UHFFFAOYSA-N 1 2 383.416 -1.019 20 0 GAADLO Cn1c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)cc(=O)n(C)c1=O ZINC001592555504 1076187491 /nfs/dbraw/zinc/18/74/91/1076187491.db2.gz YFKWMFPSWRWJEU-UHFFFAOYSA-N 1 2 383.416 -1.019 20 0 GAADLO Cn1c(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC001592555676 1076187571 /nfs/dbraw/zinc/18/75/71/1076187571.db2.gz PRJBJJNOQRXUNR-VIFPVBQESA-N 1 2 377.409 -1.984 20 0 GAADLO Cn1c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(-c2nn[nH]n2)c(=O)n(C)c1=O ZINC001592555676 1076187566 /nfs/dbraw/zinc/18/75/66/1076187566.db2.gz PRJBJJNOQRXUNR-VIFPVBQESA-N 1 2 377.409 -1.984 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001592584511 1076191278 /nfs/dbraw/zinc/19/12/78/1076191278.db2.gz ADHUGUFJIFGRKP-OLZOCXBDSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001592584875 1076191180 /nfs/dbraw/zinc/19/11/80/1076191180.db2.gz HNKJAOLCADOUAL-OLZOCXBDSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001592585270 1076191401 /nfs/dbraw/zinc/19/14/01/1076191401.db2.gz YTKVXLRYHOQOGV-CHWSQXEVSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001592589787 1076191851 /nfs/dbraw/zinc/19/18/51/1076191851.db2.gz QENMAPSISRUKDA-CHWSQXEVSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592589990 1076191720 /nfs/dbraw/zinc/19/17/20/1076191720.db2.gz CAWCYVWPQBVMJT-IJLUTSLNSA-N 1 2 399.415 -1.061 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001592589991 1076191801 /nfs/dbraw/zinc/19/18/01/1076191801.db2.gz CAWCYVWPQBVMJT-QJPTWQEYSA-N 1 2 399.415 -1.061 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001592590230 1076191819 /nfs/dbraw/zinc/19/18/19/1076191819.db2.gz RGMNGDOKBMUQBA-GMTAPVOTSA-N 1 2 399.415 -1.061 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001592590231 1076191687 /nfs/dbraw/zinc/19/16/87/1076191687.db2.gz RGMNGDOKBMUQBA-HBNTYKKESA-N 1 2 399.415 -1.061 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001592590426 1076192446 /nfs/dbraw/zinc/19/24/46/1076192446.db2.gz DLNYPCJZJJYKLN-KGLIPLIRSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O ZINC001592590461 1076192520 /nfs/dbraw/zinc/19/25/20/1076192520.db2.gz HLHYLXOWGXCNKR-ZIAGYGMSSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001592590491 1076192405 /nfs/dbraw/zinc/19/24/05/1076192405.db2.gz KGPDDCKYAQPEII-KGLIPLIRSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001592590517 1076192488 /nfs/dbraw/zinc/19/24/88/1076192488.db2.gz MKTPRTOFHNXHET-ZIAGYGMSSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O ZINC001592591643 1076192890 /nfs/dbraw/zinc/19/28/90/1076192890.db2.gz OTYKZNZAYRUHNX-BGOOENEXSA-N 1 2 396.415 -1.140 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001592591719 1076193162 /nfs/dbraw/zinc/19/31/62/1076193162.db2.gz XYXKPBPKTGSDKJ-BGOOENEXSA-N 1 2 396.415 -1.140 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O ZINC001592591722 1076193215 /nfs/dbraw/zinc/19/32/15/1076193215.db2.gz YIFYPNOGRBFFCS-FTUHBYGFSA-N 1 2 396.415 -1.140 20 0 GAADLO Cn1[nH]c(C[N@H+]2CCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)nc1=O ZINC001592594921 1076193349 /nfs/dbraw/zinc/19/33/49/1076193349.db2.gz AMGBUUUBTRNETM-UHFFFAOYSA-N 1 2 384.404 -1.035 20 0 GAADLO Cn1[nH]c(C[N@@H+]2CCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)nc1=O ZINC001592594921 1076193345 /nfs/dbraw/zinc/19/33/45/1076193345.db2.gz AMGBUUUBTRNETM-UHFFFAOYSA-N 1 2 384.404 -1.035 20 0 GAADLO Cn1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)nc1=O ZINC001592595976 1076193391 /nfs/dbraw/zinc/19/33/91/1076193391.db2.gz WNBRSDYKRJZLKY-RTCCRHLQSA-N 1 2 384.404 -1.276 20 0 GAADLO Cn1[nH]c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)nc1=O ZINC001592595976 1076193385 /nfs/dbraw/zinc/19/33/85/1076193385.db2.gz WNBRSDYKRJZLKY-RTCCRHLQSA-N 1 2 384.404 -1.276 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001592601942 1076194473 /nfs/dbraw/zinc/19/44/73/1076194473.db2.gz DPGOMLNSMUDCAP-VXGBXAGGSA-N 1 2 395.387 -1.149 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001592602127 1076194381 /nfs/dbraw/zinc/19/43/81/1076194381.db2.gz IROWEJOGZCJFFJ-NEPJUHHUSA-N 1 2 395.387 -1.149 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001592602128 1076194343 /nfs/dbraw/zinc/19/43/43/1076194343.db2.gz IROWEJOGZCJFFJ-VXGBXAGGSA-N 1 2 395.387 -1.149 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]2O)n1 ZINC001592609174 1076195283 /nfs/dbraw/zinc/19/52/83/1076195283.db2.gz YOXMYBLUTAMMDI-VXGBXAGGSA-N 1 2 388.367 -1.496 20 0 GAADLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]2O)n1 ZINC001592609174 1076195280 /nfs/dbraw/zinc/19/52/80/1076195280.db2.gz YOXMYBLUTAMMDI-VXGBXAGGSA-N 1 2 388.367 -1.496 20 0 GAADLO NC(=O)C(=O)N1CC(n2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)nn2)C1 ZINC001592711455 1076197073 /nfs/dbraw/zinc/19/70/73/1076197073.db2.gz RHWNDYVTVCMJJG-UHFFFAOYSA-N 1 2 382.388 -1.383 20 0 GAADLO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001592712310 1076197537 /nfs/dbraw/zinc/19/75/37/1076197537.db2.gz AABVGBAQLINTHN-UHFFFAOYSA-N 1 2 375.393 -2.056 20 0 GAADLO NC(=O)C(=O)NCCN1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001592713300 1076197627 /nfs/dbraw/zinc/19/76/27/1076197627.db2.gz QZPSSPDFPWFVGR-UHFFFAOYSA-N 1 2 376.396 -1.275 20 0 GAADLO NC(=O)C(=O)NCCC[NH+]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001592713592 1076198182 /nfs/dbraw/zinc/19/81/82/1076198182.db2.gz ZRVNKUFBLOCPLE-UHFFFAOYSA-N 1 2 375.393 -2.056 20 0 GAADLO NC(=O)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001592713722 1076198193 /nfs/dbraw/zinc/19/81/93/1076198193.db2.gz AOFIMZLXMFTXNF-GFCCVEGCSA-N 1 2 384.400 -1.747 20 0 GAADLO NC(=O)C(=O)N[C@H]1CC(=O)N(C2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001592713723 1076198168 /nfs/dbraw/zinc/19/81/68/1076198168.db2.gz AOFIMZLXMFTXNF-LBPRGKRZSA-N 1 2 384.400 -1.747 20 0 GAADLO NC(=O)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001592713732 1076198089 /nfs/dbraw/zinc/19/80/89/1076198089.db2.gz AYNKSIYHQCTKBO-INIZCTEOSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001592713732 1076198087 /nfs/dbraw/zinc/19/80/87/1076198087.db2.gz AYNKSIYHQCTKBO-INIZCTEOSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001592713733 1076198141 /nfs/dbraw/zinc/19/81/41/1076198141.db2.gz AYNKSIYHQCTKBO-MRXNPFEDSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001592713733 1076198139 /nfs/dbraw/zinc/19/81/39/1076198139.db2.gz AYNKSIYHQCTKBO-MRXNPFEDSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C(=O)NCc1cn(C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC001592714098 1076198113 /nfs/dbraw/zinc/19/81/13/1076198113.db2.gz JFIGVLVMMCCUQO-UHFFFAOYSA-N 1 2 382.388 -1.383 20 0 GAADLO NC(=O)C(=O)N1CCN(C2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001592714546 1076198430 /nfs/dbraw/zinc/19/84/30/1076198430.db2.gz OGKRZKWMMIMGTI-UHFFFAOYSA-N 1 2 376.446 -1.258 20 0 GAADLO NC(=O)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001592714553 1076198551 /nfs/dbraw/zinc/19/85/51/1076198551.db2.gz ONAVATSLWUNQSY-INIZCTEOSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001592714553 1076198548 /nfs/dbraw/zinc/19/85/48/1076198548.db2.gz ONAVATSLWUNQSY-INIZCTEOSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001592714554 1076198472 /nfs/dbraw/zinc/19/84/72/1076198472.db2.gz ONAVATSLWUNQSY-MRXNPFEDSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001592714554 1076198470 /nfs/dbraw/zinc/19/84/70/1076198470.db2.gz ONAVATSLWUNQSY-MRXNPFEDSA-N 1 2 377.380 -1.066 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2O)CC1 ZINC001592717026 1076199097 /nfs/dbraw/zinc/19/90/97/1076199097.db2.gz AHXUNHDFEDIROK-OLZOCXBDSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@@H]2O)CC1 ZINC001592717026 1076199095 /nfs/dbraw/zinc/19/90/95/1076199095.db2.gz AHXUNHDFEDIROK-OLZOCXBDSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]2O)CC1 ZINC001592717076 1076199211 /nfs/dbraw/zinc/19/92/11/1076199211.db2.gz BPCBXLLQRMKGAO-CHWSQXEVSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]2O)CC1 ZINC001592717076 1076199209 /nfs/dbraw/zinc/19/92/09/1076199209.db2.gz BPCBXLLQRMKGAO-CHWSQXEVSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]2O)CC1 ZINC001592717110 1076199062 /nfs/dbraw/zinc/19/90/62/1076199062.db2.gz FDMOSXUYGXXQFL-CHWSQXEVSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]2O)CC1 ZINC001592717110 1076199059 /nfs/dbraw/zinc/19/90/59/1076199059.db2.gz FDMOSXUYGXXQFL-CHWSQXEVSA-N 1 2 389.391 -1.067 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)CC1 ZINC001592717556 1076199124 /nfs/dbraw/zinc/19/91/24/1076199124.db2.gz PFMJMSPGKIJYSY-NXEZZACHSA-N 1 2 377.430 -1.145 20 0 GAADLO NC(=O)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)CC1 ZINC001592717556 1076199122 /nfs/dbraw/zinc/19/91/22/1076199122.db2.gz PFMJMSPGKIJYSY-NXEZZACHSA-N 1 2 377.430 -1.145 20 0 GAADLO NC(=O)C1(C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001592718287 1076199494 /nfs/dbraw/zinc/19/94/94/1076199494.db2.gz JJPFDXVKRAQIHD-UHFFFAOYSA-N 1 2 386.420 -1.840 20 0 GAADLO NC(=O)C1(C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC001592718505 1076199392 /nfs/dbraw/zinc/19/93/92/1076199392.db2.gz QQWTVLIZVWZORB-UHFFFAOYSA-N 1 2 385.432 -1.235 20 0 GAADLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC001592719145 1076199939 /nfs/dbraw/zinc/19/99/39/1076199939.db2.gz ORZBBDWTSRPXCE-KRWDZBQOSA-N 1 2 397.399 -1.087 20 0 GAADLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC001592719145 1076199937 /nfs/dbraw/zinc/19/99/37/1076199937.db2.gz ORZBBDWTSRPXCE-KRWDZBQOSA-N 1 2 397.399 -1.087 20 0 GAADLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC001592719146 1076200064 /nfs/dbraw/zinc/20/00/64/1076200064.db2.gz ORZBBDWTSRPXCE-QGZVFWFLSA-N 1 2 397.399 -1.087 20 0 GAADLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC001592719146 1076200061 /nfs/dbraw/zinc/20/00/61/1076200061.db2.gz ORZBBDWTSRPXCE-QGZVFWFLSA-N 1 2 397.399 -1.087 20 0 GAADLO NC(=O)C1=NO[C@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592719731 1076200047 /nfs/dbraw/zinc/20/00/47/1076200047.db2.gz AZOMNASINPYZJI-JTQLQIEISA-N 1 2 379.402 -1.140 20 0 GAADLO NC(=O)C1=NO[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592719732 1076199967 /nfs/dbraw/zinc/19/99/67/1076199967.db2.gz AZOMNASINPYZJI-SNVBAGLBSA-N 1 2 379.402 -1.140 20 0 GAADLO NC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001592724607 1076200484 /nfs/dbraw/zinc/20/04/84/1076200484.db2.gz UOIDWGTXZLMNSL-LLVKDONJSA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001592724610 1076200542 /nfs/dbraw/zinc/20/05/42/1076200542.db2.gz UOIDWGTXZLMNSL-NSHDSACASA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001592724616 1076200450 /nfs/dbraw/zinc/20/04/50/1076200450.db2.gz UVMMQKAZUAZWSQ-LLVKDONJSA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001592724618 1076200725 /nfs/dbraw/zinc/20/07/25/1076200725.db2.gz UVMMQKAZUAZWSQ-NSHDSACASA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001592724871 1076200714 /nfs/dbraw/zinc/20/07/14/1076200714.db2.gz XNVCRXIDZTZNFY-LLVKDONJSA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001592724872 1076200729 /nfs/dbraw/zinc/20/07/29/1076200729.db2.gz XNVCRXIDZTZNFY-NSHDSACASA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)NCCC[NH+]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001592725063 1076200788 /nfs/dbraw/zinc/20/07/88/1076200788.db2.gz JEKUTTPSMUCTFX-UHFFFAOYSA-N 1 2 389.420 -1.666 20 0 GAADLO NC(=O)CC(=O)NCCC[NH+]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001592725415 1076201331 /nfs/dbraw/zinc/20/13/31/1076201331.db2.gz VNPGFKWFZXDJGZ-UHFFFAOYSA-N 1 2 389.420 -1.666 20 0 GAADLO NC(=O)Cn1cc(C[NH2+][C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)nn1 ZINC001592729829 1076201833 /nfs/dbraw/zinc/20/18/33/1076201833.db2.gz QNLSVSXXUHFBOS-AWEZNQCLSA-N 1 2 396.415 -1.166 20 0 GAADLO NC(=O)Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)nn1 ZINC001592729832 1076201801 /nfs/dbraw/zinc/20/18/01/1076201801.db2.gz QNLSVSXXUHFBOS-CQSZACIVSA-N 1 2 396.415 -1.166 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001592732311 1076202327 /nfs/dbraw/zinc/20/23/27/1076202327.db2.gz HDKTXGBEQQGNRW-QOBDMFJFSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001592732311 1076202324 /nfs/dbraw/zinc/20/23/24/1076202324.db2.gz HDKTXGBEQQGNRW-QOBDMFJFSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001592732738 1076202711 /nfs/dbraw/zinc/20/27/11/1076202711.db2.gz IFYDNKUPSBOQGR-LBPRGKRZSA-N 1 2 380.434 -1.120 20 0 GAADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001592732738 1076202707 /nfs/dbraw/zinc/20/27/07/1076202707.db2.gz IFYDNKUPSBOQGR-LBPRGKRZSA-N 1 2 380.434 -1.120 20 0 GAADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001592733318 1076202961 /nfs/dbraw/zinc/20/29/61/1076202961.db2.gz TVGKSQLQBVUYGN-JTQLQIEISA-N 1 2 380.434 -1.120 20 0 GAADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001592733318 1076202954 /nfs/dbraw/zinc/20/29/54/1076202954.db2.gz TVGKSQLQBVUYGN-JTQLQIEISA-N 1 2 380.434 -1.120 20 0 GAADLO NS(=O)(=O)CCN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592746564 1076204011 /nfs/dbraw/zinc/20/40/11/1076204011.db2.gz LCCAVCXUWAHXBC-AWEZNQCLSA-N 1 2 381.462 -1.194 20 0 GAADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592746565 1076203996 /nfs/dbraw/zinc/20/39/96/1076203996.db2.gz LCCAVCXUWAHXBC-CQSZACIVSA-N 1 2 381.462 -1.194 20 0 GAADLO Nc1c(-c2nn[nH]n2)cnn1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001592753514 1076204783 /nfs/dbraw/zinc/20/47/83/1076204783.db2.gz VBLILTFNNSFWQF-GFCCVEGCSA-N 1 2 389.420 -1.001 20 0 GAADLO Nc1c(-c2nn[nH]n2)cnn1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001592753516 1076204818 /nfs/dbraw/zinc/20/48/18/1076204818.db2.gz VBLILTFNNSFWQF-LBPRGKRZSA-N 1 2 389.420 -1.001 20 0 GAADLO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001592785523 1076206563 /nfs/dbraw/zinc/20/65/63/1076206563.db2.gz CRJACAIYLYFZIC-GFCCVEGCSA-N 1 2 387.404 -2.098 20 0 GAADLO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001592785523 1076206559 /nfs/dbraw/zinc/20/65/59/1076206559.db2.gz CRJACAIYLYFZIC-GFCCVEGCSA-N 1 2 387.404 -2.098 20 0 GAADLO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001592785524 1076206467 /nfs/dbraw/zinc/20/64/67/1076206467.db2.gz CRJACAIYLYFZIC-LBPRGKRZSA-N 1 2 387.404 -2.098 20 0 GAADLO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001592785524 1076206462 /nfs/dbraw/zinc/20/64/62/1076206462.db2.gz CRJACAIYLYFZIC-LBPRGKRZSA-N 1 2 387.404 -2.098 20 0 GAADLO O=C(CC[C@@H]1NC(=O)NC1=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592834393 1076208154 /nfs/dbraw/zinc/20/81/54/1076208154.db2.gz UQVRNACGEOWJTR-BIOMNHJASA-N 1 2 385.388 -1.244 20 0 GAADLO O=C(CC[C@@H]1NC(=O)NC1=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592834395 1076208277 /nfs/dbraw/zinc/20/82/77/1076208277.db2.gz UQVRNACGEOWJTR-ISUDXETCSA-N 1 2 385.388 -1.244 20 0 GAADLO O=C(CC[C@H]1NC(=O)NC1=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592834396 1076208265 /nfs/dbraw/zinc/20/82/65/1076208265.db2.gz UQVRNACGEOWJTR-UDSFMNFJSA-N 1 2 385.388 -1.244 20 0 GAADLO O=C(CC[C@H]1NC(=O)NC1=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592834397 1076208250 /nfs/dbraw/zinc/20/82/50/1076208250.db2.gz UQVRNACGEOWJTR-YYRQZUAOSA-N 1 2 385.388 -1.244 20 0 GAADLO O=C(C[NH+]1CCCC1)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592863955 1076213518 /nfs/dbraw/zinc/21/35/18/1076213518.db2.gz KKGRYMYRBLDBLG-KRWDZBQOSA-N 1 2 387.448 -1.060 20 0 GAADLO O=C(C[NH+]1CCCC1)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592863956 1076213761 /nfs/dbraw/zinc/21/37/61/1076213761.db2.gz KKGRYMYRBLDBLG-QGZVFWFLSA-N 1 2 387.448 -1.060 20 0 GAADLO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592907677 1076217216 /nfs/dbraw/zinc/21/72/16/1076217216.db2.gz JDDLTAXJOIHIET-NSHDSACASA-N 1 2 376.352 -1.190 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001592934491 1076217842 /nfs/dbraw/zinc/21/78/42/1076217842.db2.gz NYZVPNICWGMDHN-UHFFFAOYSA-N 1 2 390.404 -1.548 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001592934765 1076218101 /nfs/dbraw/zinc/21/81/01/1076218101.db2.gz TXNRZKKDHHDNDO-NXEZZACHSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001592934765 1076218097 /nfs/dbraw/zinc/21/80/97/1076218097.db2.gz TXNRZKKDHHDNDO-NXEZZACHSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001592934774 1076217960 /nfs/dbraw/zinc/21/79/60/1076217960.db2.gz TXNRZKKDHHDNDO-UWVGGRQHSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001592934774 1076217957 /nfs/dbraw/zinc/21/79/57/1076217957.db2.gz TXNRZKKDHHDNDO-UWVGGRQHSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001592934775 1076217902 /nfs/dbraw/zinc/21/79/02/1076217902.db2.gz TXNRZKKDHHDNDO-VHSXEESVSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001592934775 1076217899 /nfs/dbraw/zinc/21/78/99/1076217899.db2.gz TXNRZKKDHHDNDO-VHSXEESVSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001592934776 1076218046 /nfs/dbraw/zinc/21/80/46/1076218046.db2.gz TXNRZKKDHHDNDO-ZJUUUORDSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001592934776 1076218041 /nfs/dbraw/zinc/21/80/41/1076218041.db2.gz TXNRZKKDHHDNDO-ZJUUUORDSA-N 1 2 376.377 -2.204 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001592940152 1076219404 /nfs/dbraw/zinc/21/94/04/1076219404.db2.gz QORFRGMXASZTFU-CYBMUJFWSA-N 1 2 390.452 -1.629 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001592940152 1076219399 /nfs/dbraw/zinc/21/93/99/1076219399.db2.gz QORFRGMXASZTFU-CYBMUJFWSA-N 1 2 390.452 -1.629 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001592940153 1076219195 /nfs/dbraw/zinc/21/91/95/1076219195.db2.gz QORFRGMXASZTFU-ZDUSSCGKSA-N 1 2 390.452 -1.629 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001592940153 1076219190 /nfs/dbraw/zinc/21/91/90/1076219190.db2.gz QORFRGMXASZTFU-ZDUSSCGKSA-N 1 2 390.452 -1.629 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001592940357 1076219336 /nfs/dbraw/zinc/21/93/36/1076219336.db2.gz AYTGAXPVDZHUIV-UHFFFAOYSA-N 1 2 382.410 -3.096 20 0 GAADLO O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001592941120 1076219227 /nfs/dbraw/zinc/21/92/27/1076219227.db2.gz TWAASIOFQZIHFK-UHFFFAOYSA-N 1 2 398.435 -1.423 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001592941297 1076219311 /nfs/dbraw/zinc/21/93/11/1076219311.db2.gz JPZGGQMTJOBJKL-ZJUUUORDSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001592941297 1076219308 /nfs/dbraw/zinc/21/93/08/1076219308.db2.gz JPZGGQMTJOBJKL-ZJUUUORDSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001592942119 1076219862 /nfs/dbraw/zinc/21/98/62/1076219862.db2.gz OIOGXQMCZTXEEX-GHMZBOCLSA-N 1 2 375.418 -1.119 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001592942120 1076219771 /nfs/dbraw/zinc/21/97/71/1076219771.db2.gz OIOGXQMCZTXEEX-MNOVXSKESA-N 1 2 375.418 -1.119 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001592942212 1076219732 /nfs/dbraw/zinc/21/97/32/1076219732.db2.gz YDWUDBOJQSYPJP-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(Cn1cncn1)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001592942212 1076219729 /nfs/dbraw/zinc/21/97/29/1076219729.db2.gz YDWUDBOJQSYPJP-KGLIPLIRSA-N 1 2 387.379 -1.041 20 0 GAADLO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001593048716 1076226562 /nfs/dbraw/zinc/22/65/62/1076226562.db2.gz REJCUUWVDCZOEY-JTQLQIEISA-N 1 2 398.387 -1.510 20 0 GAADLO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001593048717 1076226493 /nfs/dbraw/zinc/22/64/93/1076226493.db2.gz REJCUUWVDCZOEY-SNVBAGLBSA-N 1 2 398.387 -1.510 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)c1cnon1 ZINC001593070231 1076226899 /nfs/dbraw/zinc/22/68/99/1076226899.db2.gz FOURVHKEXMSEGJ-UHFFFAOYSA-N 1 2 385.392 -1.018 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cn[nH]n1 ZINC001593070497 1076227089 /nfs/dbraw/zinc/22/70/89/1076227089.db2.gz GWVJJVODMRAFON-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)c1cnon1 ZINC001593071038 1076227065 /nfs/dbraw/zinc/22/70/65/1076227065.db2.gz NHRYBNRXJKCATI-UHFFFAOYSA-N 1 2 385.392 -1.018 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)c1cnn[nH]1 ZINC001593071366 1076226940 /nfs/dbraw/zinc/22/69/40/1076226940.db2.gz SHJQFMMTAFJCBO-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)c1cn[nH]n1 ZINC001593071366 1076226936 /nfs/dbraw/zinc/22/69/36/1076226936.db2.gz SHJQFMMTAFJCBO-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001593108719 1076229348 /nfs/dbraw/zinc/22/93/48/1076229348.db2.gz CNCOAFGQDMNBDR-UHFFFAOYSA-N 1 2 396.415 -1.077 20 0 GAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001593109147 1076229309 /nfs/dbraw/zinc/22/93/09/1076229309.db2.gz IDSAYLLAJYLIGS-UHFFFAOYSA-N 1 2 396.415 -1.077 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001593111150 1076229792 /nfs/dbraw/zinc/22/97/92/1076229792.db2.gz KLPNAPBZYJSCRE-XHDPSFHLSA-N 1 2 392.424 -2.017 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001593111150 1076229788 /nfs/dbraw/zinc/22/97/88/1076229788.db2.gz KLPNAPBZYJSCRE-XHDPSFHLSA-N 1 2 392.424 -2.017 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001593111511 1076229746 /nfs/dbraw/zinc/22/97/46/1076229746.db2.gz MDBQLFZNDYRNIW-NEPJUHHUSA-N 1 2 376.425 -1.301 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001593111513 1076229473 /nfs/dbraw/zinc/22/94/73/1076229473.db2.gz MDBQLFZNDYRNIW-NWDGAFQWSA-N 1 2 376.425 -1.301 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001593111514 1076229806 /nfs/dbraw/zinc/22/98/06/1076229806.db2.gz MDBQLFZNDYRNIW-RYUDHWBXSA-N 1 2 376.425 -1.301 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001593111516 1076229503 /nfs/dbraw/zinc/22/95/03/1076229503.db2.gz MDBQLFZNDYRNIW-VXGBXAGGSA-N 1 2 376.425 -1.301 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[NH+](C2CCOCC2)CC1 ZINC001593112455 1076230022 /nfs/dbraw/zinc/23/00/22/1076230022.db2.gz VGXHOWHZNWXPKP-UHFFFAOYSA-N 1 2 376.425 -1.036 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001593177729 1076231256 /nfs/dbraw/zinc/23/12/56/1076231256.db2.gz HENYDJPYMPMITI-CHWSQXEVSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(CCn1cc[nH+]c1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001593177843 1076231823 /nfs/dbraw/zinc/23/18/23/1076231823.db2.gz QPEUWDUHEIDPJI-CHWSQXEVSA-N 1 2 385.388 -1.217 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001593178070 1076232555 /nfs/dbraw/zinc/23/25/55/1076232555.db2.gz LVXIPPVQXZDTJY-CYZMBNFOSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001593178071 1076232529 /nfs/dbraw/zinc/23/25/29/1076232529.db2.gz LVXIPPVQXZDTJY-RAIGVLPGSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001593178072 1076232585 /nfs/dbraw/zinc/23/25/85/1076232585.db2.gz LVXIPPVQXZDTJY-RTXFEEFZSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001593178073 1076232571 /nfs/dbraw/zinc/23/25/71/1076232571.db2.gz LVXIPPVQXZDTJY-UHTWSYAYSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001593178498 1076233324 /nfs/dbraw/zinc/23/33/24/1076233324.db2.gz HZOSFPHCYQNNNL-GDLCADMTSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001593178500 1076233593 /nfs/dbraw/zinc/23/35/93/1076233593.db2.gz HZOSFPHCYQNNNL-HONMWMINSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001593178961 1076233979 /nfs/dbraw/zinc/23/39/79/1076233979.db2.gz QVJGXMDLISVPNL-GDLCADMTSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001593178963 1076233884 /nfs/dbraw/zinc/23/38/84/1076233884.db2.gz QVJGXMDLISVPNL-HONMWMINSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001593179349 1076234472 /nfs/dbraw/zinc/23/44/72/1076234472.db2.gz GHHCKYFORMWPTR-GDLCADMTSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001593179350 1076234728 /nfs/dbraw/zinc/23/47/28/1076234728.db2.gz GHHCKYFORMWPTR-HONMWMINSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001593179351 1076234906 /nfs/dbraw/zinc/23/49/06/1076234906.db2.gz GHHCKYFORMWPTR-LERXQTSPSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001593179352 1076234853 /nfs/dbraw/zinc/23/48/53/1076234853.db2.gz GHHCKYFORMWPTR-ZLKJLUDKSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001593179478 1076234765 /nfs/dbraw/zinc/23/47/65/1076234765.db2.gz HZOSFPHCYQNNNL-LERXQTSPSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001593179479 1076234707 /nfs/dbraw/zinc/23/47/07/1076234707.db2.gz HZOSFPHCYQNNNL-ZLKJLUDKSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001593179703 1076235426 /nfs/dbraw/zinc/23/54/26/1076235426.db2.gz QVJGXMDLISVPNL-LERXQTSPSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001593179704 1076235329 /nfs/dbraw/zinc/23/53/29/1076235329.db2.gz QVJGXMDLISVPNL-ZLKJLUDKSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001593179780 1076235455 /nfs/dbraw/zinc/23/54/55/1076235455.db2.gz XLGQELCWZZNKHM-GDLCADMTSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001593179781 1076235391 /nfs/dbraw/zinc/23/53/91/1076235391.db2.gz XLGQELCWZZNKHM-HONMWMINSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001593179782 1076235247 /nfs/dbraw/zinc/23/52/47/1076235247.db2.gz XLGQELCWZZNKHM-LERXQTSPSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001593179783 1076235281 /nfs/dbraw/zinc/23/52/81/1076235281.db2.gz XLGQELCWZZNKHM-ZLKJLUDKSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001593180612 1076236249 /nfs/dbraw/zinc/23/62/49/1076236249.db2.gz WVXSDEGMLZHEMZ-CYZMBNFOSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001593180613 1076236270 /nfs/dbraw/zinc/23/62/70/1076236270.db2.gz WVXSDEGMLZHEMZ-RAIGVLPGSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001593317483 1076237928 /nfs/dbraw/zinc/23/79/28/1076237928.db2.gz GYKVLWYRPPDRPQ-UHFFFAOYSA-N 1 2 387.404 -1.106 20 0 GAADLO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC001593392457 1076244161 /nfs/dbraw/zinc/24/41/61/1076244161.db2.gz YDOGOGQJHNQZEX-ZDUSSCGKSA-N 1 2 388.432 -1.064 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001593396225 1076244700 /nfs/dbraw/zinc/24/47/00/1076244700.db2.gz FLOLPDHJRKAXMT-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001593396225 1076244695 /nfs/dbraw/zinc/24/46/95/1076244695.db2.gz FLOLPDHJRKAXMT-BFHYXJOUSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001593396414 1076244795 /nfs/dbraw/zinc/24/47/95/1076244795.db2.gz YDEPKKGYUVKMMW-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001593396414 1076244789 /nfs/dbraw/zinc/24/47/89/1076244789.db2.gz YDEPKKGYUVKMMW-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001593397125 1076244983 /nfs/dbraw/zinc/24/49/83/1076244983.db2.gz KAKUQGXHPJPWLA-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001593397125 1076244981 /nfs/dbraw/zinc/24/49/81/1076244981.db2.gz KAKUQGXHPJPWLA-MGPQQGTHSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001593397128 1076245107 /nfs/dbraw/zinc/24/51/07/1076245107.db2.gz KJVPVKZOHMDYRL-GMTAPVOTSA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001593397128 1076245103 /nfs/dbraw/zinc/24/51/03/1076245103.db2.gz KJVPVKZOHMDYRL-GMTAPVOTSA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CNC1=O ZINC001593399417 1076246785 /nfs/dbraw/zinc/24/67/85/1076246785.db2.gz HBSRPQUWCFECCQ-QWRGUYRKSA-N 1 2 385.388 -1.355 20 0 GAADLO O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CNC1=O ZINC001593399417 1076246783 /nfs/dbraw/zinc/24/67/83/1076246783.db2.gz HBSRPQUWCFECCQ-QWRGUYRKSA-N 1 2 385.388 -1.355 20 0 GAADLO O=C(NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1)[C@@H]1CNC(=O)N1 ZINC001593403567 1076248786 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GAADLO O=S1(=O)C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)n2)[C@H](N2CCOCC2)C1 ZINC001593461943 1076255375 /nfs/dbraw/zinc/25/53/75/1076255375.db2.gz ZTPMRCNTXQYAJF-UONOGXRCSA-N 1 2 379.446 -1.151 20 0 GAADLO O=S1(=O)C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)n2)[C@H](N2CCOCC2)C1 ZINC001593461944 1076255165 /nfs/dbraw/zinc/25/51/65/1076255165.db2.gz ZTPMRCNTXQYAJF-ZIAGYGMSSA-N 1 2 379.446 -1.151 20 0 GAADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC001593770796 1076256024 /nfs/dbraw/zinc/25/60/24/1076256024.db2.gz NFSQYZPUQMSFQA-HNNXBMFYSA-N 1 2 380.420 -1.135 20 0 GAADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC001593770806 1076256005 /nfs/dbraw/zinc/25/60/05/1076256005.db2.gz NFSQYZPUQMSFQA-OAHLLOKOSA-N 1 2 380.420 -1.135 20 0 GAADLO CN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001593781207 954665417 /nfs/dbraw/zinc/66/54/17/954665417.db2.gz JEIUQAGZXNFOBM-HNNXBMFYSA-N 1 2 395.460 -1.087 20 0 GAADLO 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-1.093 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C[C@H](C)[N@H+]1CCO ZINC001594513523 985799583 /nfs/dbraw/zinc/79/95/83/985799583.db2.gz LLUOVMDAAJGRNQ-SOUVJXGZSA-N 1 2 384.477 -1.093 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)[O-])C[C@@H]2C)C[C@H](C)[N@@H+]1CCO ZINC001594513523 985799576 /nfs/dbraw/zinc/79/95/76/985799576.db2.gz LLUOVMDAAJGRNQ-SOUVJXGZSA-N 1 2 384.477 -1.093 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)C[C@H](C)[NH+]1CCO ZINC001594513523 985799564 /nfs/dbraw/zinc/79/95/64/985799564.db2.gz LLUOVMDAAJGRNQ-SOUVJXGZSA-N 1 2 384.477 -1.093 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)C[C@H](C)[NH+]1CCO ZINC001594513523 985799555 /nfs/dbraw/zinc/79/95/55/985799555.db2.gz LLUOVMDAAJGRNQ-SOUVJXGZSA-N 1 2 384.477 -1.093 20 0 GAADLO O=C([O-])C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001595075634 951644261 /nfs/dbraw/zinc/64/42/61/951644261.db2.gz TXCYISKHTLOTLP-AWEZNQCLSA-N 1 2 382.461 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O=C(CN1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001596015978 1076258703 /nfs/dbraw/zinc/25/87/03/1076258703.db2.gz FHJFRGSQHBHXRF-UHFFFAOYSA-N 1 2 397.501 -1.018 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001596017154 1076258778 /nfs/dbraw/zinc/25/87/78/1076258778.db2.gz NOUCTHJOPOXMMB-OLZOCXBDSA-N 1 2 381.458 -1.229 20 0 GAADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001596275987 1076259004 /nfs/dbraw/zinc/25/90/04/1076259004.db2.gz MYEWRUDZDHDLHT-UHFFFAOYSA-N 1 2 387.510 -1.264 20 0 GAADLO NS(=O)(=O)c1cnn(CCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001597148147 1076260381 /nfs/dbraw/zinc/26/03/81/1076260381.db2.gz LJJNUITUGKFGTP-CYBMUJFWSA-N 1 2 385.446 -1.183 20 0 GAADLO NS(=O)(=O)c1cnn(CCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001597148148 1076260363 /nfs/dbraw/zinc/26/03/63/1076260363.db2.gz LJJNUITUGKFGTP-ZDUSSCGKSA-N 1 2 385.446 -1.183 20 0 GAADLO CCOCCS(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001597150436 1076260348 /nfs/dbraw/zinc/26/03/48/1076260348.db2.gz ZIFHZOGEZSYTPZ-CYBMUJFWSA-N 1 2 377.463 -1.162 20 0 GAADLO CCOCCS(=O)(=O)NCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001597150439 1076260281 /nfs/dbraw/zinc/26/02/81/1076260281.db2.gz ZIFHZOGEZSYTPZ-ZDUSSCGKSA-N 1 2 377.463 -1.162 20 0 GAADLO CN1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@@H+](C)CC1 ZINC001597659287 1076261537 /nfs/dbraw/zinc/26/15/37/1076261537.db2.gz YBNAEDVZDFKRPL-UHFFFAOYSA-N 1 2 387.462 -1.637 20 0 GAADLO CN1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[N@H+](C)CC1 ZINC001597659287 1076261532 /nfs/dbraw/zinc/26/15/32/1076261532.db2.gz YBNAEDVZDFKRPL-UHFFFAOYSA-N 1 2 387.462 -1.637 20 0 GAADLO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460560 991951813 /nfs/dbraw/zinc/95/18/13/991951813.db2.gz VLVPYHIXVLBOIR-KBXCAEBGSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460560 991951804 /nfs/dbraw/zinc/95/18/04/991951804.db2.gz VLVPYHIXVLBOIR-KBXCAEBGSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460561 991950987 /nfs/dbraw/zinc/95/09/87/991950987.db2.gz VLVPYHIXVLBOIR-KDOFPFPSSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460561 991950982 /nfs/dbraw/zinc/95/09/82/991950982.db2.gz VLVPYHIXVLBOIR-KDOFPFPSSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460562 991951527 /nfs/dbraw/zinc/95/15/27/991951527.db2.gz VLVPYHIXVLBOIR-KSSFIOAISA-N 1 2 382.461 -1.073 20 0 GAADLO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460562 991951521 /nfs/dbraw/zinc/95/15/21/991951521.db2.gz VLVPYHIXVLBOIR-KSSFIOAISA-N 1 2 382.461 -1.073 20 0 GAADLO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460563 991950806 /nfs/dbraw/zinc/95/08/06/991950806.db2.gz VLVPYHIXVLBOIR-RDTXWAMCSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001598460563 991950799 /nfs/dbraw/zinc/95/07/99/991950799.db2.gz VLVPYHIXVLBOIR-RDTXWAMCSA-N 1 2 382.461 -1.073 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)C2)CC1 ZINC001598584987 993369212 /nfs/dbraw/zinc/36/92/12/993369212.db2.gz HVDXIUPOZXDJBA-IPYPFGDCSA-N 1 2 382.461 -1.435 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)C2)CC1 ZINC001598584987 993369207 /nfs/dbraw/zinc/36/92/07/993369207.db2.gz HVDXIUPOZXDJBA-IPYPFGDCSA-N 1 2 382.461 -1.435 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584991 993369311 /nfs/dbraw/zinc/36/93/11/993369311.db2.gz HVDXIUPOZXDJBA-KCQAQPDRSA-N 1 2 382.461 -1.435 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584991 993369308 /nfs/dbraw/zinc/36/93/08/993369308.db2.gz HVDXIUPOZXDJBA-KCQAQPDRSA-N 1 2 382.461 -1.435 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)C2)CC1 ZINC001598584994 993369798 /nfs/dbraw/zinc/36/97/98/993369798.db2.gz HVDXIUPOZXDJBA-VNHYZAJKSA-N 1 2 382.461 -1.435 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)C2)CC1 ZINC001598584994 993369791 /nfs/dbraw/zinc/36/97/91/993369791.db2.gz HVDXIUPOZXDJBA-VNHYZAJKSA-N 1 2 382.461 -1.435 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584997 993369534 /nfs/dbraw/zinc/36/95/34/993369534.db2.gz HVDXIUPOZXDJBA-YDHLFZDLSA-N 1 2 382.461 -1.435 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)C2)CC1 ZINC001598584997 993369529 /nfs/dbraw/zinc/36/95/29/993369529.db2.gz HVDXIUPOZXDJBA-YDHLFZDLSA-N 1 2 382.461 -1.435 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604480 993622435 /nfs/dbraw/zinc/62/24/35/993622435.db2.gz UZXQICIVRFCYGN-CABCVRRESA-N 1 2 382.461 -1.358 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604480 993622431 /nfs/dbraw/zinc/62/24/31/993622431.db2.gz UZXQICIVRFCYGN-CABCVRRESA-N 1 2 382.461 -1.358 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604481 993622793 /nfs/dbraw/zinc/62/27/93/993622793.db2.gz UZXQICIVRFCYGN-GJZGRUSLSA-N 1 2 382.461 -1.358 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604481 993622790 /nfs/dbraw/zinc/62/27/90/993622790.db2.gz UZXQICIVRFCYGN-GJZGRUSLSA-N 1 2 382.461 -1.358 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C(=O)[O-])C1 ZINC001598604482 993622705 /nfs/dbraw/zinc/62/27/05/993622705.db2.gz UZXQICIVRFCYGN-HUUCEWRRSA-N 1 2 382.461 -1.358 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C(=O)[O-])C1 ZINC001598604482 993622698 /nfs/dbraw/zinc/62/26/98/993622698.db2.gz UZXQICIVRFCYGN-HUUCEWRRSA-N 1 2 382.461 -1.358 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C(=O)[O-])C1 ZINC001598604583 993624010 /nfs/dbraw/zinc/62/40/10/993624010.db2.gz UZXQICIVRFCYGN-LSDHHAIUSA-N 1 2 382.461 -1.358 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H](C(=O)[O-])C1 ZINC001598604583 993624008 /nfs/dbraw/zinc/62/40/08/993624008.db2.gz UZXQICIVRFCYGN-LSDHHAIUSA-N 1 2 382.461 -1.358 20 0 GAADLO CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001598643747 994352354 /nfs/dbraw/zinc/35/23/54/994352354.db2.gz VCIJQTZGWCJRTP-GOSISDBHSA-N 1 2 397.476 -1.232 20 0 GAADLO CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001598643748 994352278 /nfs/dbraw/zinc/35/22/78/994352278.db2.gz VCIJQTZGWCJRTP-SFHVURJKSA-N 1 2 397.476 -1.232 20 0 GAADLO COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)C[NH+]2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001598713002 1076262456 /nfs/dbraw/zinc/26/24/56/1076262456.db2.gz ONPVNMIUHJUXGY-ARFHVFGLSA-N 1 2 388.461 -1.249 20 0 GAADLO COC(=O)[C@H](O)C1CC[NH+](C[C@H](O)C[NH+]2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC001598713005 1076262430 /nfs/dbraw/zinc/26/24/30/1076262430.db2.gz ONPVNMIUHJUXGY-BZUAXINKSA-N 1 2 388.461 -1.249 20 0 GAADLO COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001598713007 1076262479 /nfs/dbraw/zinc/26/24/79/1076262479.db2.gz ONPVNMIUHJUXGY-HRCADAONSA-N 1 2 388.461 -1.249 20 0 GAADLO COC(=O)[C@H](O)C1CC[NH+](C[C@H](O)C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC001598713009 1076262520 /nfs/dbraw/zinc/26/25/20/1076262520.db2.gz ONPVNMIUHJUXGY-OWCLPIDISA-N 1 2 388.461 -1.249 20 0 GAADLO [NH3+][C@@H](CC(=O)[O-])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001601201739 1076265591 /nfs/dbraw/zinc/26/55/91/1076265591.db2.gz XJHNDYUMGKMTAJ-LBPRGKRZSA-N 1 2 385.446 -1.548 20 0 GAADLO O=C([O-])C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001602062970 1076269858 /nfs/dbraw/zinc/26/98/58/1076269858.db2.gz FVLUOEFDZQVBEV-HNNXBMFYSA-N 1 2 382.461 -1.072 20 0 GAADLO O=C([O-])C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001602062971 1076269898 /nfs/dbraw/zinc/26/98/98/1076269898.db2.gz FVLUOEFDZQVBEV-OAHLLOKOSA-N 1 2 382.461 -1.072 20 0 GAADLO CC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001602919257 1076273600 /nfs/dbraw/zinc/27/36/00/1076273600.db2.gz NVHLLERMGNCFCP-UHFFFAOYSA-N 1 2 388.436 -1.627 20 0 GAADLO C[C@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001602997963 1076276635 /nfs/dbraw/zinc/27/66/35/1076276635.db2.gz BVIQPSUAJXYYCF-LLVKDONJSA-N 1 2 376.425 -1.358 20 0 GAADLO C[C@@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001602997964 1076276743 /nfs/dbraw/zinc/27/67/43/1076276743.db2.gz BVIQPSUAJXYYCF-NSHDSACASA-N 1 2 376.425 -1.358 20 0 GAADLO C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001603010271 1076277027 /nfs/dbraw/zinc/27/70/27/1076277027.db2.gz WATXNMDPFZIZJJ-CMPLNLGQSA-N 1 2 388.436 -1.170 20 0 GAADLO C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001603010273 1076277083 /nfs/dbraw/zinc/27/70/83/1076277083.db2.gz WATXNMDPFZIZJJ-JQWIXIFHSA-N 1 2 388.436 -1.170 20 0 GAADLO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001603010274 1076277647 /nfs/dbraw/zinc/27/76/47/1076277647.db2.gz WATXNMDPFZIZJJ-PWSUYJOCSA-N 1 2 388.436 -1.170 20 0 GAADLO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001603010276 1076277411 /nfs/dbraw/zinc/27/74/11/1076277411.db2.gz WATXNMDPFZIZJJ-ZYHUDNBSSA-N 1 2 388.436 -1.170 20 0 GAADLO CC(C)(C(N)=O)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001603051587 1076278635 /nfs/dbraw/zinc/27/86/35/1076278635.db2.gz PXZOSIOWXODOBI-UHFFFAOYSA-N 1 2 388.436 -1.594 20 0 GAADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)cc2=O)C1 ZINC001603295026 1076279620 /nfs/dbraw/zinc/27/96/20/1076279620.db2.gz MGQVCACSOGXOCH-GFCCVEGCSA-N 1 2 376.421 -1.104 20 0 GAADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)cc2=O)C1 ZINC001603295026 1076279619 /nfs/dbraw/zinc/27/96/19/1076279619.db2.gz MGQVCACSOGXOCH-GFCCVEGCSA-N 1 2 376.421 -1.104 20 0 GAADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)cc2=O)C1 ZINC001603295027 1076279652 /nfs/dbraw/zinc/27/96/52/1076279652.db2.gz MGQVCACSOGXOCH-LBPRGKRZSA-N 1 2 376.421 -1.104 20 0 GAADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)cc2=O)C1 ZINC001603295027 1076279651 /nfs/dbraw/zinc/27/96/51/1076279651.db2.gz MGQVCACSOGXOCH-LBPRGKRZSA-N 1 2 376.421 -1.104 20 0 GAADLO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603341790 1076280162 /nfs/dbraw/zinc/28/01/62/1076280162.db2.gz AHETWGHNTZSQBU-GFCCVEGCSA-N 1 2 382.450 -1.185 20 0 GAADLO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603341794 1076280464 /nfs/dbraw/zinc/28/04/64/1076280464.db2.gz AHETWGHNTZSQBU-LBPRGKRZSA-N 1 2 382.450 -1.185 20 0 GAADLO CC(C)[NH2+]C1(CO)CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001603342375 1076280590 /nfs/dbraw/zinc/28/05/90/1076280590.db2.gz HRYDVPHAAVXWGJ-UHFFFAOYSA-N 1 2 392.420 -1.520 20 0 GAADLO CC(C)[C@@H](O)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001603382164 1076280457 /nfs/dbraw/zinc/28/04/57/1076280457.db2.gz OZBODALGCFJMRS-CQSZACIVSA-N 1 2 375.437 -1.088 20 0 GAADLO C[C@H](CC(N)=O)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001603457121 1076281006 /nfs/dbraw/zinc/28/10/06/1076281006.db2.gz AATJDNQRVZKFPP-LLVKDONJSA-N 1 2 388.436 -1.594 20 0 GAADLO C[C@@H](CC(N)=O)C(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001603457130 1076280828 /nfs/dbraw/zinc/28/08/28/1076280828.db2.gz AATJDNQRVZKFPP-NSHDSACASA-N 1 2 388.436 -1.594 20 0 GAADLO C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001603493515 1076281637 /nfs/dbraw/zinc/28/16/37/1076281637.db2.gz OBPIGGFQTGWVSF-BXKDBHETSA-N 1 2 387.404 -1.022 20 0 GAADLO C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001603493517 1076281597 /nfs/dbraw/zinc/28/15/97/1076281597.db2.gz OBPIGGFQTGWVSF-CABZTGNLSA-N 1 2 387.404 -1.022 20 0 GAADLO C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001603493519 1076281645 /nfs/dbraw/zinc/28/16/45/1076281645.db2.gz OBPIGGFQTGWVSF-JOYOIKCWSA-N 1 2 387.404 -1.022 20 0 GAADLO C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001603493521 1076281693 /nfs/dbraw/zinc/28/16/93/1076281693.db2.gz OBPIGGFQTGWVSF-SKDRFNHKSA-N 1 2 387.404 -1.022 20 0 GAADLO C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001603516655 1076282643 /nfs/dbraw/zinc/28/26/43/1076282643.db2.gz CTOJAJLVFBAUGP-NWDGAFQWSA-N 1 2 375.437 -1.037 20 0 GAADLO C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001603516656 1076282427 /nfs/dbraw/zinc/28/24/27/1076282427.db2.gz CTOJAJLVFBAUGP-VXGBXAGGSA-N 1 2 375.437 -1.037 20 0 GAADLO C[C@@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603531284 1076283824 /nfs/dbraw/zinc/28/38/24/1076283824.db2.gz TUIDRMUZOSIREP-JTQLQIEISA-N 1 2 385.388 -1.460 20 0 GAADLO C[C@H](CNC(=O)CCn1cc[nH]c(=O)c1=O)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603531290 1076283795 /nfs/dbraw/zinc/28/37/95/1076283795.db2.gz TUIDRMUZOSIREP-SNVBAGLBSA-N 1 2 385.388 -1.460 20 0 GAADLO C[C@H](CNC(=O)NCCn1cnc(-c2nn[nH]n2)n1)C[NH+]1CCN(C)CC1 ZINC001603535409 1076284266 /nfs/dbraw/zinc/28/42/66/1076284266.db2.gz KVTMJXZLMSRRKF-GFCCVEGCSA-N 1 2 377.457 -1.359 20 0 GAADLO C[C@@H](CNC(=O)NCCn1cnc(-c2nn[nH]n2)n1)C[NH+]1CCN(C)CC1 ZINC001603535410 1076284474 /nfs/dbraw/zinc/28/44/74/1076284474.db2.gz KVTMJXZLMSRRKF-LBPRGKRZSA-N 1 2 377.457 -1.359 20 0 GAADLO C[C@@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853731 1076291457 /nfs/dbraw/zinc/29/14/57/1076291457.db2.gz RYLOKBHIIPSUDT-NXEZZACHSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853731 1076291454 /nfs/dbraw/zinc/29/14/54/1076291454.db2.gz RYLOKBHIIPSUDT-NXEZZACHSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853740 1076291506 /nfs/dbraw/zinc/29/15/06/1076291506.db2.gz RYLOKBHIIPSUDT-UWVGGRQHSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853740 1076291504 /nfs/dbraw/zinc/29/15/04/1076291504.db2.gz RYLOKBHIIPSUDT-UWVGGRQHSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853744 1076291482 /nfs/dbraw/zinc/29/14/82/1076291482.db2.gz RYLOKBHIIPSUDT-VHSXEESVSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@H]1C[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853744 1076291480 /nfs/dbraw/zinc/29/14/80/1076291480.db2.gz RYLOKBHIIPSUDT-VHSXEESVSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@H+]1C ZINC001603853748 1076291469 /nfs/dbraw/zinc/29/14/69/1076291469.db2.gz RYLOKBHIIPSUDT-ZJUUUORDSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@@H]1C[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC[N@@H+]1C ZINC001603853748 1076291468 /nfs/dbraw/zinc/29/14/68/1076291468.db2.gz RYLOKBHIIPSUDT-ZJUUUORDSA-N 1 2 377.409 -1.089 20 0 GAADLO C[C@H]1CCC[N@H+]1CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001603899780 1076292309 /nfs/dbraw/zinc/29/23/09/1076292309.db2.gz ORPURDNZUFBPCZ-JTQLQIEISA-N 1 2 377.409 -1.088 20 0 GAADLO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001603899780 1076292305 /nfs/dbraw/zinc/29/23/05/1076292305.db2.gz ORPURDNZUFBPCZ-JTQLQIEISA-N 1 2 377.409 -1.088 20 0 GAADLO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001603899781 1076292183 /nfs/dbraw/zinc/29/21/83/1076292183.db2.gz ORPURDNZUFBPCZ-SNVBAGLBSA-N 1 2 377.409 -1.088 20 0 GAADLO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001603899781 1076292180 /nfs/dbraw/zinc/29/21/80/1076292180.db2.gz ORPURDNZUFBPCZ-SNVBAGLBSA-N 1 2 377.409 -1.088 20 0 GAADLO CC1CC[NH+](CC(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001603906004 1076292231 /nfs/dbraw/zinc/29/22/31/1076292231.db2.gz SCQFCSGRNHNUEI-GFCCVEGCSA-N 1 2 375.437 -1.301 20 0 GAADLO CC1CC[NH+](CC(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001603906005 1076292384 /nfs/dbraw/zinc/29/23/84/1076292384.db2.gz SCQFCSGRNHNUEI-LBPRGKRZSA-N 1 2 375.437 -1.301 20 0 GAADLO C[C@H]1COCC[N@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001603949295 1076294095 /nfs/dbraw/zinc/29/40/95/1076294095.db2.gz SNWZMPDWBNVWSN-JTQLQIEISA-N 1 2 376.421 -1.057 20 0 GAADLO C[C@H]1COCC[N@@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001603949295 1076294091 /nfs/dbraw/zinc/29/40/91/1076294091.db2.gz SNWZMPDWBNVWSN-JTQLQIEISA-N 1 2 376.421 -1.057 20 0 GAADLO C[C@@H]1COCC[N@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001603949299 1076294135 /nfs/dbraw/zinc/29/41/35/1076294135.db2.gz SNWZMPDWBNVWSN-SNVBAGLBSA-N 1 2 376.421 -1.057 20 0 GAADLO C[C@@H]1COCC[N@@H+]1C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001603949299 1076294131 /nfs/dbraw/zinc/29/41/31/1076294131.db2.gz SNWZMPDWBNVWSN-SNVBAGLBSA-N 1 2 376.421 -1.057 20 0 GAADLO CC[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001604034661 1076295623 /nfs/dbraw/zinc/29/56/23/1076295623.db2.gz VLVZVUGCTBEPJO-CABZTGNLSA-N 1 2 387.404 -1.103 20 0 GAADLO CC[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001604034662 1076295644 /nfs/dbraw/zinc/29/56/44/1076295644.db2.gz VLVZVUGCTBEPJO-SKDRFNHKSA-N 1 2 387.404 -1.103 20 0 GAADLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)C1CC1 ZINC001604259374 1076297217 /nfs/dbraw/zinc/29/72/17/1076297217.db2.gz WOGNSYUGMDQIQS-KGLIPLIRSA-N 1 2 388.432 -1.019 20 0 GAADLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1)C1CC1 ZINC001604259374 1076297213 /nfs/dbraw/zinc/29/72/13/1076297213.db2.gz WOGNSYUGMDQIQS-KGLIPLIRSA-N 1 2 388.432 -1.019 20 0 GAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001604259375 1076297021 /nfs/dbraw/zinc/29/70/21/1076297021.db2.gz WOGNSYUGMDQIQS-ZIAGYGMSSA-N 1 2 388.432 -1.019 20 0 GAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001604259375 1076297017 /nfs/dbraw/zinc/29/70/17/1076297017.db2.gz WOGNSYUGMDQIQS-ZIAGYGMSSA-N 1 2 388.432 -1.019 20 0 GAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CC1 ZINC001604259388 1076297563 /nfs/dbraw/zinc/29/75/63/1076297563.db2.gz XBLFBGANQOOOQA-ZIAGYGMSSA-N 1 2 388.432 -1.019 20 0 GAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CC1 ZINC001604259388 1076297558 /nfs/dbraw/zinc/29/75/58/1076297558.db2.gz XBLFBGANQOOOQA-ZIAGYGMSSA-N 1 2 388.432 -1.019 20 0 GAADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001604278834 1076297381 /nfs/dbraw/zinc/29/73/81/1076297381.db2.gz BOXAJIALBJADDU-CHWSQXEVSA-N 1 2 376.421 -1.162 20 0 GAADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001604278834 1076297374 /nfs/dbraw/zinc/29/73/74/1076297374.db2.gz BOXAJIALBJADDU-CHWSQXEVSA-N 1 2 376.421 -1.162 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001604345486 1076298771 /nfs/dbraw/zinc/29/87/71/1076298771.db2.gz DIINOHGRCVEPLH-AGIUHOORSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001604345486 1076298769 /nfs/dbraw/zinc/29/87/69/1076298769.db2.gz DIINOHGRCVEPLH-AGIUHOORSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001604345487 1076298679 /nfs/dbraw/zinc/29/86/79/1076298679.db2.gz DIINOHGRCVEPLH-FRRDWIJNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001604345487 1076298675 /nfs/dbraw/zinc/29/86/75/1076298675.db2.gz DIINOHGRCVEPLH-FRRDWIJNSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346072 1076299186 /nfs/dbraw/zinc/29/91/86/1076299186.db2.gz SMARVDVBJIJUQA-NEPJUHHUSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346072 1076299182 /nfs/dbraw/zinc/29/91/82/1076299182.db2.gz SMARVDVBJIJUQA-NEPJUHHUSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346073 1076299170 /nfs/dbraw/zinc/29/91/70/1076299170.db2.gz SMARVDVBJIJUQA-NWDGAFQWSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346073 1076299167 /nfs/dbraw/zinc/29/91/67/1076299167.db2.gz SMARVDVBJIJUQA-NWDGAFQWSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346074 1076299137 /nfs/dbraw/zinc/29/91/37/1076299137.db2.gz SMARVDVBJIJUQA-RYUDHWBXSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346074 1076299135 /nfs/dbraw/zinc/29/91/35/1076299135.db2.gz SMARVDVBJIJUQA-RYUDHWBXSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346075 1076299112 /nfs/dbraw/zinc/29/91/12/1076299112.db2.gz SMARVDVBJIJUQA-VXGBXAGGSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001604346075 1076299110 /nfs/dbraw/zinc/29/91/10/1076299110.db2.gz SMARVDVBJIJUQA-VXGBXAGGSA-N 1 2 391.436 -1.970 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001604346097 1076299581 /nfs/dbraw/zinc/29/95/81/1076299581.db2.gz TZHKJFRPZAETDL-GRYCIOLGSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001604346097 1076299577 /nfs/dbraw/zinc/29/95/77/1076299577.db2.gz TZHKJFRPZAETDL-GRYCIOLGSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001604346098 1076299561 /nfs/dbraw/zinc/29/95/61/1076299561.db2.gz TZHKJFRPZAETDL-WOPDTQHZSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001604346098 1076299559 /nfs/dbraw/zinc/29/95/59/1076299559.db2.gz TZHKJFRPZAETDL-WOPDTQHZSA-N 1 2 389.420 -1.957 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346103 1076299400 /nfs/dbraw/zinc/29/94/00/1076299400.db2.gz UAWUVEASZCGXOM-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346103 1076299393 /nfs/dbraw/zinc/29/93/93/1076299393.db2.gz UAWUVEASZCGXOM-CMPLNLGQSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346104 1076299540 /nfs/dbraw/zinc/29/95/40/1076299540.db2.gz UAWUVEASZCGXOM-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346104 1076299538 /nfs/dbraw/zinc/29/95/38/1076299538.db2.gz UAWUVEASZCGXOM-JQWIXIFHSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346105 1076299503 /nfs/dbraw/zinc/29/95/03/1076299503.db2.gz UAWUVEASZCGXOM-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346105 1076299497 /nfs/dbraw/zinc/29/94/97/1076299497.db2.gz UAWUVEASZCGXOM-PWSUYJOCSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346106 1076299444 /nfs/dbraw/zinc/29/94/44/1076299444.db2.gz UAWUVEASZCGXOM-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)C1 ZINC001604346106 1076299440 /nfs/dbraw/zinc/29/94/40/1076299440.db2.gz UAWUVEASZCGXOM-ZYHUDNBSSA-N 1 2 377.409 -1.734 20 0 GAADLO CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001604346221 1076299526 /nfs/dbraw/zinc/29/95/26/1076299526.db2.gz ZHKFWMPKRPWLET-CYBMUJFWSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001604346221 1076299520 /nfs/dbraw/zinc/29/95/20/1076299520.db2.gz ZHKFWMPKRPWLET-CYBMUJFWSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001604346222 1076299372 /nfs/dbraw/zinc/29/93/72/1076299372.db2.gz ZHKFWMPKRPWLET-ZDUSSCGKSA-N 1 2 391.436 -1.390 20 0 GAADLO CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001604346222 1076299368 /nfs/dbraw/zinc/29/93/68/1076299368.db2.gz ZHKFWMPKRPWLET-ZDUSSCGKSA-N 1 2 391.436 -1.390 20 0 GAADLO CCNC(=O)CC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001604352255 1076299855 /nfs/dbraw/zinc/29/98/55/1076299855.db2.gz RZQRXEMCXHIWSW-UHFFFAOYSA-N 1 2 388.436 -1.579 20 0 GAADLO CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001604548272 1076303945 /nfs/dbraw/zinc/30/39/45/1076303945.db2.gz HJDKQVGEPFZFKK-OLZOCXBDSA-N 1 2 398.431 -1.139 20 0 GAADLO CCc1nc(NC2CC[NH+](CCNC(=O)C(N)=O)CC2)cc(-c2nn[nH]n2)n1 ZINC001604562437 1076304709 /nfs/dbraw/zinc/30/47/09/1076304709.db2.gz REFIKVRENSSRES-UHFFFAOYSA-N 1 2 388.436 -1.303 20 0 GAADLO CCc1nc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562908 1076304777 /nfs/dbraw/zinc/30/47/77/1076304777.db2.gz ADTVFRQAHRZLJT-CMPLNLGQSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562908 1076304774 /nfs/dbraw/zinc/30/47/74/1076304774.db2.gz ADTVFRQAHRZLJT-CMPLNLGQSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(NC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562909 1076304730 /nfs/dbraw/zinc/30/47/30/1076304730.db2.gz ADTVFRQAHRZLJT-JQWIXIFHSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(NC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562909 1076304725 /nfs/dbraw/zinc/30/47/25/1076304725.db2.gz ADTVFRQAHRZLJT-JQWIXIFHSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562910 1076304880 /nfs/dbraw/zinc/30/48/80/1076304880.db2.gz ADTVFRQAHRZLJT-PWSUYJOCSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562910 1076304872 /nfs/dbraw/zinc/30/48/72/1076304872.db2.gz ADTVFRQAHRZLJT-PWSUYJOCSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562911 1076304807 /nfs/dbraw/zinc/30/48/07/1076304807.db2.gz ADTVFRQAHRZLJT-ZYHUDNBSSA-N 1 2 391.436 -1.561 20 0 GAADLO CCc1nc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)cc(-c2nn[nH]n2)n1 ZINC001604562911 1076304804 /nfs/dbraw/zinc/30/48/04/1076304804.db2.gz ADTVFRQAHRZLJT-ZYHUDNBSSA-N 1 2 391.436 -1.561 20 0 GAADLO CCn1c(CC[NH3+])nnc1Sc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC001604598921 1076305125 /nfs/dbraw/zinc/30/51/25/1076305125.db2.gz UTZAHXKDEPZTFQ-UHFFFAOYSA-N 1 2 378.422 -1.472 20 0 GAADLO CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001604659099 1076307561 /nfs/dbraw/zinc/30/75/61/1076307561.db2.gz YKACCFNHPUUCKQ-UHFFFAOYSA-N 1 2 387.404 -1.107 20 0 GAADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001604667704 1076307985 /nfs/dbraw/zinc/30/79/85/1076307985.db2.gz GJJBJLXGEIXOPU-UHFFFAOYSA-N 1 2 391.440 -1.690 20 0 GAADLO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCO1 ZINC001604683493 1076308447 /nfs/dbraw/zinc/30/84/47/1076308447.db2.gz HCCOESKLLQFLRN-LLVKDONJSA-N 1 2 392.420 -1.302 20 0 GAADLO C[NH+](C)CCC[C@H]1CN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CCO1 ZINC001604683496 1076308327 /nfs/dbraw/zinc/30/83/27/1076308327.db2.gz HCCOESKLLQFLRN-NSHDSACASA-N 1 2 392.420 -1.302 20 0 GAADLO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC001604686020 1076308337 /nfs/dbraw/zinc/30/83/37/1076308337.db2.gz KQMYOHCEYUMXJQ-UHFFFAOYSA-N 1 2 382.450 -1.098 20 0 GAADLO C[NH+](C)CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001604686605 1076308478 /nfs/dbraw/zinc/30/84/78/1076308478.db2.gz QRCSQNOXPKMBMY-LLVKDONJSA-N 1 2 397.465 -1.574 20 0 GAADLO C[NH+](C)CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001604686606 1076308281 /nfs/dbraw/zinc/30/82/81/1076308281.db2.gz QRCSQNOXPKMBMY-NSHDSACASA-N 1 2 397.465 -1.574 20 0 GAADLO C[NH+](C)CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001604686878 1076308402 /nfs/dbraw/zinc/30/84/02/1076308402.db2.gz UZVKGQHQNAIKDG-JTQLQIEISA-N 1 2 383.438 -1.965 20 0 GAADLO C[NH+](C)CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001604686895 1076308244 /nfs/dbraw/zinc/30/82/44/1076308244.db2.gz UZVKGQHQNAIKDG-SNVBAGLBSA-N 1 2 383.438 -1.965 20 0 GAADLO C[N@@H+](CC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)[C@@H]1CCSC1 ZINC001604708886 1076309774 /nfs/dbraw/zinc/30/97/74/1076309774.db2.gz UMPLTRJAHSLUOG-SECBINFHSA-N 1 2 392.445 -1.050 20 0 GAADLO C[N@H+](CC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)[C@@H]1CCSC1 ZINC001604708886 1076309770 /nfs/dbraw/zinc/30/97/70/1076309770.db2.gz UMPLTRJAHSLUOG-SECBINFHSA-N 1 2 392.445 -1.050 20 0 GAADLO C[N@@H+](CC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)[C@H]1CCSC1 ZINC001604708888 1076309538 /nfs/dbraw/zinc/30/95/38/1076309538.db2.gz UMPLTRJAHSLUOG-VIFPVBQESA-N 1 2 392.445 -1.050 20 0 GAADLO C[N@H+](CC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)[C@H]1CCSC1 ZINC001604708888 1076309531 /nfs/dbraw/zinc/30/95/31/1076309531.db2.gz UMPLTRJAHSLUOG-VIFPVBQESA-N 1 2 392.445 -1.050 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1 ZINC001604720606 1076313388 /nfs/dbraw/zinc/31/33/88/1076313388.db2.gz UHVDNTSEQUPUQQ-LLVKDONJSA-N 1 2 397.461 -1.357 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1 ZINC001604720607 1076313426 /nfs/dbraw/zinc/31/34/26/1076313426.db2.gz UHVDNTSEQUPUQQ-NSHDSACASA-N 1 2 397.461 -1.357 20 0 GAADLO CN(C[C@@H]1CC[N@H+]1CCNS(C)(=O)=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001604753179 1076314231 /nfs/dbraw/zinc/31/42/31/1076314231.db2.gz YRRRMHCPVRTELD-JTQLQIEISA-N 1 2 382.450 -1.110 20 0 GAADLO CN(C[C@@H]1CC[N@@H+]1CCNS(C)(=O)=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001604753179 1076314229 /nfs/dbraw/zinc/31/42/29/1076314229.db2.gz YRRRMHCPVRTELD-JTQLQIEISA-N 1 2 382.450 -1.110 20 0 GAADLO CN(C[C@H]1CC[N@H+]1CCNS(C)(=O)=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001604753184 1076314516 /nfs/dbraw/zinc/31/45/16/1076314516.db2.gz YRRRMHCPVRTELD-SNVBAGLBSA-N 1 2 382.450 -1.110 20 0 GAADLO CN(C[C@H]1CC[N@@H+]1CCNS(C)(=O)=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001604753184 1076314510 /nfs/dbraw/zinc/31/45/10/1076314510.db2.gz YRRRMHCPVRTELD-SNVBAGLBSA-N 1 2 382.450 -1.110 20 0 GAADLO CN(CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)S(C)(=O)=O ZINC001604764195 1076315014 /nfs/dbraw/zinc/31/50/14/1076315014.db2.gz MDXICIAVURIXSB-NEPJUHHUSA-N 1 2 398.449 -2.139 20 0 GAADLO CN(CC[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1)S(C)(=O)=O ZINC001604764195 1076315010 /nfs/dbraw/zinc/31/50/10/1076315010.db2.gz MDXICIAVURIXSB-NEPJUHHUSA-N 1 2 398.449 -2.139 20 0 GAADLO CN(CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001604764226 1076315162 /nfs/dbraw/zinc/31/51/62/1076315162.db2.gz OETKDFDGFDGNPY-KGLIPLIRSA-N 1 2 399.459 -1.037 20 0 GAADLO CN(CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)S(C)(=O)=O ZINC001604764389 1076315070 /nfs/dbraw/zinc/31/50/70/1076315070.db2.gz ZRWVDQCWLHJGGS-VXGBXAGGSA-N 1 2 398.449 -2.139 20 0 GAADLO CN(CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)S(C)(=O)=O ZINC001604764389 1076315063 /nfs/dbraw/zinc/31/50/63/1076315063.db2.gz ZRWVDQCWLHJGGS-VXGBXAGGSA-N 1 2 398.449 -2.139 20 0 GAADLO C[N@H+]1CCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001604863242 1076323057 /nfs/dbraw/zinc/32/30/57/1076323057.db2.gz XXAXLMAJQFQUDO-VIFPVBQESA-N 1 2 375.393 -1.211 20 0 GAADLO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001604863242 1076323053 /nfs/dbraw/zinc/32/30/53/1076323053.db2.gz XXAXLMAJQFQUDO-VIFPVBQESA-N 1 2 375.393 -1.211 20 0 GAADLO CN1CC[NH+](CC2CCN(c3[nH]c(=O)n(C)c(=O)c3-c3nn[nH]n3)CC2)CC1 ZINC001604866464 1076323377 /nfs/dbraw/zinc/32/33/77/1076323377.db2.gz XASCEERAYLMRSF-UHFFFAOYSA-N 1 2 389.464 -1.283 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ncccc2-c2nn[nH]n2)C1 ZINC001604868571 1076323393 /nfs/dbraw/zinc/32/33/93/1076323393.db2.gz DBPPZTNLZPEFMX-CYBMUJFWSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ncccc2-c2nn[nH]n2)C1 ZINC001604868571 1076323388 /nfs/dbraw/zinc/32/33/88/1076323388.db2.gz DBPPZTNLZPEFMX-CYBMUJFWSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ncccc2-c2nn[nH]n2)C1 ZINC001604868572 1076323256 /nfs/dbraw/zinc/32/32/56/1076323256.db2.gz DBPPZTNLZPEFMX-ZDUSSCGKSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ncccc2-c2nn[nH]n2)C1 ZINC001604868572 1076323251 /nfs/dbraw/zinc/32/32/51/1076323251.db2.gz DBPPZTNLZPEFMX-ZDUSSCGKSA-N 1 2 376.421 -1.175 20 0 GAADLO CN(C[C@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001604869048 1076323432 /nfs/dbraw/zinc/32/34/32/1076323432.db2.gz DRJQNOFNXZMHLD-GHMZBOCLSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001604869048 1076323430 /nfs/dbraw/zinc/32/34/30/1076323430.db2.gz DRJQNOFNXZMHLD-GHMZBOCLSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001604869078 1076323513 /nfs/dbraw/zinc/32/35/13/1076323513.db2.gz DRJQNOFNXZMHLD-MNOVXSKESA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001604869078 1076323508 /nfs/dbraw/zinc/32/35/08/1076323508.db2.gz DRJQNOFNXZMHLD-MNOVXSKESA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001604869085 1076323460 /nfs/dbraw/zinc/32/34/60/1076323460.db2.gz DRJQNOFNXZMHLD-QWRGUYRKSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001604869085 1076323458 /nfs/dbraw/zinc/32/34/58/1076323458.db2.gz DRJQNOFNXZMHLD-QWRGUYRKSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001604869090 1076323548 /nfs/dbraw/zinc/32/35/48/1076323548.db2.gz DRJQNOFNXZMHLD-WDEREUQCSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@@H](O)CNc1nccnc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001604869090 1076323544 /nfs/dbraw/zinc/32/35/44/1076323544.db2.gz DRJQNOFNXZMHLD-WDEREUQCSA-N 1 2 377.409 -1.782 20 0 GAADLO CN(C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001604869576 1076323414 /nfs/dbraw/zinc/32/34/14/1076323414.db2.gz HQGZSPQCEMAQFP-DOMZBBRYSA-N 1 2 390.448 -1.152 20 0 GAADLO CN(C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001604869581 1076323533 /nfs/dbraw/zinc/32/35/33/1076323533.db2.gz HQGZSPQCEMAQFP-IUODEOHRSA-N 1 2 390.448 -1.152 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CN(C)CCO1 ZINC001604869583 1076323448 /nfs/dbraw/zinc/32/34/48/1076323448.db2.gz HQGZSPQCEMAQFP-SWLSCSKDSA-N 1 2 390.448 -1.152 20 0 GAADLO CN(C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CN(C)CCO1 ZINC001604869586 1076323309 /nfs/dbraw/zinc/32/33/09/1076323309.db2.gz HQGZSPQCEMAQFP-WFASDCNBSA-N 1 2 390.448 -1.152 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001604869647 1076323779 /nfs/dbraw/zinc/32/37/79/1076323779.db2.gz IJZNMAQPRJJAGQ-CYBMUJFWSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001604869647 1076323776 /nfs/dbraw/zinc/32/37/76/1076323776.db2.gz IJZNMAQPRJJAGQ-CYBMUJFWSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001604869650 1076323855 /nfs/dbraw/zinc/32/38/55/1076323855.db2.gz IJZNMAQPRJJAGQ-ZDUSSCGKSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001604869650 1076323851 /nfs/dbraw/zinc/32/38/51/1076323851.db2.gz IJZNMAQPRJJAGQ-ZDUSSCGKSA-N 1 2 376.421 -1.175 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001604869664 1076323804 /nfs/dbraw/zinc/32/38/04/1076323804.db2.gz INUSARQYHAPGRT-FVCCEPFGSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001604869664 1076323800 /nfs/dbraw/zinc/32/38/00/1076323800.db2.gz INUSARQYHAPGRT-FVCCEPFGSA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001604869666 1076323736 /nfs/dbraw/zinc/32/37/36/1076323736.db2.gz INUSARQYHAPGRT-RVMXOQNASA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001604869666 1076323733 /nfs/dbraw/zinc/32/37/33/1076323733.db2.gz INUSARQYHAPGRT-RVMXOQNASA-N 1 2 385.432 -1.214 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869728 1076323976 /nfs/dbraw/zinc/32/39/76/1076323976.db2.gz JRCVLGYBWDOHCM-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869728 1076323974 /nfs/dbraw/zinc/32/39/74/1076323974.db2.gz JRCVLGYBWDOHCM-NEPJUHHUSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869729 1076323837 /nfs/dbraw/zinc/32/38/37/1076323837.db2.gz JRCVLGYBWDOHCM-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869729 1076323832 /nfs/dbraw/zinc/32/38/32/1076323832.db2.gz JRCVLGYBWDOHCM-NWDGAFQWSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869731 1076323756 /nfs/dbraw/zinc/32/37/56/1076323756.db2.gz JRCVLGYBWDOHCM-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869731 1076323752 /nfs/dbraw/zinc/32/37/52/1076323752.db2.gz JRCVLGYBWDOHCM-RYUDHWBXSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869734 1076323697 /nfs/dbraw/zinc/32/36/97/1076323697.db2.gz JRCVLGYBWDOHCM-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)C1 ZINC001604869734 1076323693 /nfs/dbraw/zinc/32/36/93/1076323693.db2.gz JRCVLGYBWDOHCM-VXGBXAGGSA-N 1 2 389.420 -1.691 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001604870258 1076323922 /nfs/dbraw/zinc/32/39/22/1076323922.db2.gz PYKWHFHMKFBFJU-GMTAPVOTSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001604870258 1076323920 /nfs/dbraw/zinc/32/39/20/1076323920.db2.gz PYKWHFHMKFBFJU-GMTAPVOTSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001604870259 1076323906 /nfs/dbraw/zinc/32/39/06/1076323906.db2.gz PYKWHFHMKFBFJU-MXWKQRLJSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001604870259 1076323903 /nfs/dbraw/zinc/32/39/03/1076323903.db2.gz PYKWHFHMKFBFJU-MXWKQRLJSA-N 1 2 375.393 -2.347 20 0 GAADLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]32)C1 ZINC001604870479 1076323944 /nfs/dbraw/zinc/32/39/44/1076323944.db2.gz RRBJMXUFTWVXMQ-UZGDPCLZSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]32)C1 ZINC001604870479 1076323938 /nfs/dbraw/zinc/32/39/38/1076323938.db2.gz RRBJMXUFTWVXMQ-UZGDPCLZSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]32)C1 ZINC001604870481 1076323716 /nfs/dbraw/zinc/32/37/16/1076323716.db2.gz RRBJMXUFTWVXMQ-WVWOOGAGSA-N 1 2 386.416 -1.288 20 0 GAADLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@H]32)C1 ZINC001604870481 1076323710 /nfs/dbraw/zinc/32/37/10/1076323710.db2.gz RRBJMXUFTWVXMQ-WVWOOGAGSA-N 1 2 386.416 -1.288 20 0 GAADLO CN(CCOCCNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001604870488 1076323679 /nfs/dbraw/zinc/32/36/79/1076323679.db2.gz RRZSTGFRDOAUOA-CYBMUJFWSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001604870488 1076323674 /nfs/dbraw/zinc/32/36/74/1076323674.db2.gz RRZSTGFRDOAUOA-CYBMUJFWSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001604870489 1076323881 /nfs/dbraw/zinc/32/38/81/1076323881.db2.gz RRZSTGFRDOAUOA-ZDUSSCGKSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1cncc(-c2nn[nH]n2)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001604870489 1076323878 /nfs/dbraw/zinc/32/38/78/1076323878.db2.gz RRZSTGFRDOAUOA-ZDUSSCGKSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1nccnc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001604870508 1076323961 /nfs/dbraw/zinc/32/39/61/1076323961.db2.gz SOKXOWNPFFPRNW-GFCCVEGCSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1nccnc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001604870508 1076323959 /nfs/dbraw/zinc/32/39/59/1076323959.db2.gz SOKXOWNPFFPRNW-GFCCVEGCSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1nccnc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001604870509 1076323998 /nfs/dbraw/zinc/32/39/98/1076323998.db2.gz SOKXOWNPFFPRNW-LBPRGKRZSA-N 1 2 391.436 -1.126 20 0 GAADLO CN(CCOCCNc1nccnc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001604870509 1076323992 /nfs/dbraw/zinc/32/39/92/1076323992.db2.gz SOKXOWNPFFPRNW-LBPRGKRZSA-N 1 2 391.436 -1.126 20 0 GAADLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001604883319 1076326054 /nfs/dbraw/zinc/32/60/54/1076326054.db2.gz PFCQLAIFAPVZND-BXKDBHETSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001604883319 1076326046 /nfs/dbraw/zinc/32/60/46/1076326046.db2.gz PFCQLAIFAPVZND-BXKDBHETSA-N 1 2 387.404 -1.203 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001604885687 1076326519 /nfs/dbraw/zinc/32/65/19/1076326519.db2.gz JZQKXOMHBGTCBD-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001604885687 1076326513 /nfs/dbraw/zinc/32/65/13/1076326513.db2.gz JZQKXOMHBGTCBD-CHWSQXEVSA-N 1 2 392.395 -1.404 20 0 GAADLO CNC(=O)NCC(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001604886246 1076326963 /nfs/dbraw/zinc/32/69/63/1076326963.db2.gz WRADQHDOEUSYHF-UHFFFAOYSA-N 1 2 388.436 -1.571 20 0 GAADLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001604897586 1076329360 /nfs/dbraw/zinc/32/93/60/1076329360.db2.gz OZIOMQNLFRQPJE-GFCCVEGCSA-N 1 2 397.461 -1.312 20 0 GAADLO CNS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001604897587 1076329252 /nfs/dbraw/zinc/32/92/52/1076329252.db2.gz OZIOMQNLFRQPJE-LBPRGKRZSA-N 1 2 397.461 -1.312 20 0 GAADLO COC(=O)NCC(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001604953352 1076331465 /nfs/dbraw/zinc/33/14/65/1076331465.db2.gz WSCWVCNNZPHGLX-UHFFFAOYSA-N 1 2 390.408 -1.749 20 0 GAADLO COC(=O)c1cccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1-c1nn[nH]n1 ZINC001604981789 1076332200 /nfs/dbraw/zinc/33/22/00/1076332200.db2.gz RPHYGQLNYVUSAH-LLVKDONJSA-N 1 2 393.429 -1.013 20 0 GAADLO COC(=O)c1cccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1-c1nn[nH]n1 ZINC001604981789 1076332194 /nfs/dbraw/zinc/33/21/94/1076332194.db2.gz RPHYGQLNYVUSAH-LLVKDONJSA-N 1 2 393.429 -1.013 20 0 GAADLO COC(=O)c1cccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1-c1nn[nH]n1 ZINC001604981790 1076332413 /nfs/dbraw/zinc/33/24/13/1076332413.db2.gz RPHYGQLNYVUSAH-NSHDSACASA-N 1 2 393.429 -1.013 20 0 GAADLO COC(=O)c1cccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1-c1nn[nH]n1 ZINC001604981790 1076332409 /nfs/dbraw/zinc/33/24/09/1076332409.db2.gz RPHYGQLNYVUSAH-NSHDSACASA-N 1 2 393.429 -1.013 20 0 GAADLO COC1CC[NH+](CCNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001605032202 1076332786 /nfs/dbraw/zinc/33/27/86/1076332786.db2.gz LVSHCUJCIJNERC-UHFFFAOYSA-N 1 2 378.393 -1.644 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001605097876 1076336428 /nfs/dbraw/zinc/33/64/28/1076336428.db2.gz XKANDKWDWOZIBH-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001605097876 1076336422 /nfs/dbraw/zinc/33/64/22/1076336422.db2.gz XKANDKWDWOZIBH-CYBMUJFWSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001605097999 1076336382 /nfs/dbraw/zinc/33/63/82/1076336382.db2.gz XKANDKWDWOZIBH-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCN(CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cncc(-c2nn[nH]n2)n1 ZINC001605097999 1076336376 /nfs/dbraw/zinc/33/63/76/1076336376.db2.gz XKANDKWDWOZIBH-ZDUSSCGKSA-N 1 2 391.436 -1.444 20 0 GAADLO COCCOCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001605109158 1076336689 /nfs/dbraw/zinc/33/66/89/1076336689.db2.gz FJLBJDDMVOXACE-UHFFFAOYSA-N 1 2 391.436 -1.442 20 0 GAADLO CO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001605147123 1076338511 /nfs/dbraw/zinc/33/85/11/1076338511.db2.gz FXJFYQYNJYCEDP-VXGBXAGGSA-N 1 2 398.449 -1.827 20 0 GAADLO CO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001605147123 1076338505 /nfs/dbraw/zinc/33/85/05/1076338505.db2.gz FXJFYQYNJYCEDP-VXGBXAGGSA-N 1 2 398.449 -1.827 20 0 GAADLO CO[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001605147394 1076338432 /nfs/dbraw/zinc/33/84/32/1076338432.db2.gz QABIWCPYTMHFKS-GRYCIOLGSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001605147394 1076338427 /nfs/dbraw/zinc/33/84/27/1076338427.db2.gz QABIWCPYTMHFKS-GRYCIOLGSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001605147396 1076338480 /nfs/dbraw/zinc/33/84/80/1076338480.db2.gz QABIWCPYTMHFKS-IJLUTSLNSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001605147396 1076338473 /nfs/dbraw/zinc/33/84/73/1076338473.db2.gz QABIWCPYTMHFKS-IJLUTSLNSA-N 1 2 388.388 -1.571 20 0 GAADLO CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001605147821 1076338671 /nfs/dbraw/zinc/33/86/71/1076338671.db2.gz SAQMZRQLFPXIMJ-JHJVBQTASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001605147821 1076338665 /nfs/dbraw/zinc/33/86/65/1076338665.db2.gz SAQMZRQLFPXIMJ-JHJVBQTASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001605147822 1076339017 /nfs/dbraw/zinc/33/90/17/1076339017.db2.gz SAQMZRQLFPXIMJ-UPJWGTAASA-N 1 2 389.420 -1.693 20 0 GAADLO CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001605147822 1076339011 /nfs/dbraw/zinc/33/90/11/1076339011.db2.gz SAQMZRQLFPXIMJ-UPJWGTAASA-N 1 2 389.420 -1.693 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001605243604 1076340524 /nfs/dbraw/zinc/34/05/24/1076340524.db2.gz GVPFOKWJUILWJB-OLZOCXBDSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](O)C1 ZINC001605243604 1076340519 /nfs/dbraw/zinc/34/05/19/1076340519.db2.gz GVPFOKWJUILWJB-OLZOCXBDSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001605275827 1076340652 /nfs/dbraw/zinc/34/06/52/1076340652.db2.gz DQGLEUCDTAWYAO-OLZOCXBDSA-N 1 2 399.415 -1.021 20 0 GAADLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ncn(C)n3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001605275827 1076340647 /nfs/dbraw/zinc/34/06/47/1076340647.db2.gz DQGLEUCDTAWYAO-OLZOCXBDSA-N 1 2 399.415 -1.021 20 0 GAADLO C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001605412902 1076344374 /nfs/dbraw/zinc/34/43/74/1076344374.db2.gz KNJSKDNIRWPOPN-JIMOISOXSA-N 1 2 399.415 -1.069 20 0 GAADLO C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001605412903 1076344360 /nfs/dbraw/zinc/34/43/60/1076344360.db2.gz KNJSKDNIRWPOPN-OASPWFOLSA-N 1 2 399.415 -1.069 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001605460569 1076345902 /nfs/dbraw/zinc/34/59/02/1076345902.db2.gz AJAHQGMFXFFBFI-CHWSQXEVSA-N 1 2 385.388 -1.229 20 0 GAADLO Cc1cc(NC[C@@H](O)CN(C)C(=O)CCc2cnn[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605728197 1076351305 /nfs/dbraw/zinc/35/13/05/1076351305.db2.gz AYCSRTYOXGMDGS-GFCCVEGCSA-N 1 2 386.420 -1.026 20 0 GAADLO Cc1cc(NC[C@H](O)CN(C)C(=O)CCc2cnn[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605728198 1076351341 /nfs/dbraw/zinc/35/13/41/1076351341.db2.gz AYCSRTYOXGMDGS-LBPRGKRZSA-N 1 2 386.420 -1.026 20 0 GAADLO Cc1cc(NC[C@@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605730677 1076351572 /nfs/dbraw/zinc/35/15/72/1076351572.db2.gz HQIYDPOXLKWPBH-LLVKDONJSA-N 1 2 384.404 -1.008 20 0 GAADLO Cc1cc(NC[C@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605730678 1076351504 /nfs/dbraw/zinc/35/15/04/1076351504.db2.gz HQIYDPOXLKWPBH-NSHDSACASA-N 1 2 384.404 -1.008 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H]([NH+]3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001605763390 1076351965 /nfs/dbraw/zinc/35/19/65/1076351965.db2.gz YCXMSVFSNUYKNZ-GFCCVEGCSA-N 1 2 385.432 -1.222 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H]([NH+]3CCN(C(=O)C(N)=O)CC3)C2)n1 ZINC001605763391 1076352004 /nfs/dbraw/zinc/35/20/04/1076352004.db2.gz YCXMSVFSNUYKNZ-LBPRGKRZSA-N 1 2 385.432 -1.222 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001605770307 1076352230 /nfs/dbraw/zinc/35/22/30/1076352230.db2.gz TXOVJGALSDEWHP-HZSPNIEDSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001605770307 1076352225 /nfs/dbraw/zinc/35/22/25/1076352225.db2.gz TXOVJGALSDEWHP-HZSPNIEDSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001605770313 1076352422 /nfs/dbraw/zinc/35/24/22/1076352422.db2.gz TXOVJGALSDEWHP-RDBSUJKOSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)n1 ZINC001605770313 1076352414 /nfs/dbraw/zinc/35/24/14/1076352414.db2.gz TXOVJGALSDEWHP-RDBSUJKOSA-N 1 2 388.432 -1.434 20 0 GAADLO Cc1nc(CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001606009130 1076354117 /nfs/dbraw/zinc/35/41/17/1076354117.db2.gz BTTJTCSQQGWMJN-AAEUAGOBSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nnc(CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)[nH]1 ZINC001606009130 1076354110 /nfs/dbraw/zinc/35/41/10/1076354110.db2.gz BTTJTCSQQGWMJN-AAEUAGOBSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nc(CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001606009131 1076354136 /nfs/dbraw/zinc/35/41/36/1076354136.db2.gz BTTJTCSQQGWMJN-DGCLKSJQSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)[nH]1 ZINC001606009131 1076354131 /nfs/dbraw/zinc/35/41/31/1076354131.db2.gz BTTJTCSQQGWMJN-DGCLKSJQSA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nc(CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)n[nH]1 ZINC001606009132 1076354191 /nfs/dbraw/zinc/35/41/91/1076354191.db2.gz BTTJTCSQQGWMJN-WCQYABFASA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nnc(CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)[nH]1 ZINC001606009132 1076354186 /nfs/dbraw/zinc/35/41/86/1076354186.db2.gz BTTJTCSQQGWMJN-WCQYABFASA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nc(CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)n[nH]1 ZINC001606009133 1076354017 /nfs/dbraw/zinc/35/40/17/1076354017.db2.gz BTTJTCSQQGWMJN-YPMHNXCESA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nnc(CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)[nH]1 ZINC001606009133 1076354011 /nfs/dbraw/zinc/35/40/11/1076354011.db2.gz BTTJTCSQQGWMJN-YPMHNXCESA-N 1 2 384.404 -1.013 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@H]3CO)CC2)o1 ZINC001606020016 1076354617 /nfs/dbraw/zinc/35/46/17/1076354617.db2.gz RSZZJUACHPMEOH-NWDGAFQWSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H]3CO)CC2)o1 ZINC001606020016 1076354612 /nfs/dbraw/zinc/35/46/12/1076354612.db2.gz RSZZJUACHPMEOH-NWDGAFQWSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)CCC(N)=O)CC2)o1 ZINC001606020307 1076354536 /nfs/dbraw/zinc/35/45/36/1076354536.db2.gz VDISTWZSRWDRLD-UHFFFAOYSA-N 1 2 377.409 -1.381 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)CCC(N)=O)CC2)o1 ZINC001606020307 1076354532 /nfs/dbraw/zinc/35/45/32/1076354532.db2.gz VDISTWZSRWDRLD-UHFFFAOYSA-N 1 2 377.409 -1.381 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)o1 ZINC001606020499 1076354677 /nfs/dbraw/zinc/35/46/77/1076354677.db2.gz YWSMMZNMIJCJQV-VXGBXAGGSA-N 1 2 392.420 -1.497 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)o1 ZINC001606020499 1076354672 /nfs/dbraw/zinc/35/46/72/1076354672.db2.gz YWSMMZNMIJCJQV-VXGBXAGGSA-N 1 2 392.420 -1.497 20 0 GAADLO Cc1nc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1-c1nn[nH]n1 ZINC001606054154 1076355201 /nfs/dbraw/zinc/35/52/01/1076355201.db2.gz BRFMMUYVTQPKKI-KGLIPLIRSA-N 1 2 399.459 -1.070 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001606097062 1076356410 /nfs/dbraw/zinc/35/64/10/1076356410.db2.gz CXUUCXARXPFDSX-INIZCTEOSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001606097063 1076356219 /nfs/dbraw/zinc/35/62/19/1076356219.db2.gz CXUUCXARXPFDSX-MRXNPFEDSA-N 1 2 384.404 -1.081 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001606097250 1076356345 /nfs/dbraw/zinc/35/63/45/1076356345.db2.gz PQLBGVHXDTYSOS-NEPJUHHUSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001606097251 1076356364 /nfs/dbraw/zinc/35/63/64/1076356364.db2.gz PQLBGVHXDTYSOS-NWDGAFQWSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001606097252 1076356248 /nfs/dbraw/zinc/35/62/48/1076356248.db2.gz PQLBGVHXDTYSOS-RYUDHWBXSA-N 1 2 384.404 -1.082 20 0 GAADLO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001606097253 1076356333 /nfs/dbraw/zinc/35/63/33/1076356333.db2.gz PQLBGVHXDTYSOS-VXGBXAGGSA-N 1 2 384.404 -1.082 20 0 GAADLO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606125747 1076357528 /nfs/dbraw/zinc/35/75/28/1076357528.db2.gz QCJHWQUYWIOVRS-GOSISDBHSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606125747 1076357524 /nfs/dbraw/zinc/35/75/24/1076357524.db2.gz QCJHWQUYWIOVRS-GOSISDBHSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606125748 1076357578 /nfs/dbraw/zinc/35/75/78/1076357578.db2.gz QCJHWQUYWIOVRS-SFHVURJKSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606125748 1076357571 /nfs/dbraw/zinc/35/75/71/1076357571.db2.gz QCJHWQUYWIOVRS-SFHVURJKSA-N 1 2 382.461 -1.073 20 0 GAADLO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001606127040 1076357337 /nfs/dbraw/zinc/35/73/37/1076357337.db2.gz RQCHHORZVPSKQP-GOSISDBHSA-N 1 2 382.461 -1.072 20 0 GAADLO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001606127041 1076357396 /nfs/dbraw/zinc/35/73/96/1076357396.db2.gz RQCHHORZVPSKQP-SFHVURJKSA-N 1 2 382.461 -1.072 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001606201867 1076358559 /nfs/dbraw/zinc/35/85/59/1076358559.db2.gz GYDPDHDDKZCJJN-LLVKDONJSA-N 1 2 376.421 -1.055 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001606201868 1076358504 /nfs/dbraw/zinc/35/85/04/1076358504.db2.gz GYDPDHDDKZCJJN-NSHDSACASA-N 1 2 376.421 -1.055 20 0 GAADLO Cn1c(=O)[nH]c(N2CCC(C)([NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001606202491 1076358865 /nfs/dbraw/zinc/35/88/65/1076358865.db2.gz NWRXHHMSWDLBGR-UHFFFAOYSA-N 1 2 376.421 -1.055 20 0 GAADLO Cn1c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc(=O)n(C)c1=O ZINC001606216158 1076359267 /nfs/dbraw/zinc/35/92/67/1076359267.db2.gz GSVNYDYNVTZUSB-UHFFFAOYSA-N 1 2 383.416 -1.019 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC[C@H](C[NH+]3CCOCC3)C2)n(C)c1=O ZINC001606217075 1076359185 /nfs/dbraw/zinc/35/91/85/1076359185.db2.gz ADNJGWAMLJIMJK-GFCCVEGCSA-N 1 2 390.448 -1.187 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC([NH+]3CCOCC3)CC2)n(C)c1=O ZINC001606217821 1076360083 /nfs/dbraw/zinc/36/00/83/1076360083.db2.gz VCDGFCYSLZVEDK-UHFFFAOYSA-N 1 2 376.421 -1.435 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001606263792 1076363662 /nfs/dbraw/zinc/36/36/62/1076363662.db2.gz DPPGWZXKOJUKOG-OLZOCXBDSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 ZINC001606264047 1076363599 /nfs/dbraw/zinc/36/35/99/1076363599.db2.gz MKTPRTOFHNXHET-KGLIPLIRSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O ZINC001606264066 1076363728 /nfs/dbraw/zinc/36/37/28/1076363728.db2.gz NZGVRZSFHVPXIV-OLZOCXBDSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001606264165 1076363444 /nfs/dbraw/zinc/36/34/44/1076363444.db2.gz QENMAPSISRUKDA-OLZOCXBDSA-N 1 2 385.388 -1.528 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[nH]n1 ZINC001606264326 1076363630 /nfs/dbraw/zinc/36/36/30/1076363630.db2.gz WPMRYEHICQZKAG-GFCCVEGCSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[nH]n1 ZINC001606264327 1076363706 /nfs/dbraw/zinc/36/37/06/1076363706.db2.gz WPMRYEHICQZKAG-LBPRGKRZSA-N 1 2 384.404 -1.046 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 ZINC001606264355 1076363642 /nfs/dbraw/zinc/36/36/42/1076363642.db2.gz XSXFTAMPASMFLK-KGLIPLIRSA-N 1 2 399.415 -1.137 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001606264880 1076363919 /nfs/dbraw/zinc/36/39/19/1076363919.db2.gz DQEHGZULIAFEGH-UZWSLXQKSA-N 1 2 396.415 -1.140 20 0 GAADLO Cn1ncc(C(=O)NCC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC001606274764 1076365080 /nfs/dbraw/zinc/36/50/80/1076365080.db2.gz AOSCDRLUYFEKBS-UHFFFAOYSA-N 1 2 383.420 -1.058 20 0 GAADLO NC(=O)C(=O)N1CCN(C2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001606401435 1076367929 /nfs/dbraw/zinc/36/79/29/1076367929.db2.gz ZPBFNIIHSJJTBN-UHFFFAOYSA-N 1 2 388.407 -1.181 20 0 GAADLO NC(=O)C1(C(=O)NCCN2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001606404495 1076368267 /nfs/dbraw/zinc/36/82/67/1076368267.db2.gz NMFRGZVVWCXQNG-UHFFFAOYSA-N 1 2 385.432 -1.235 20 0 GAADLO NC(=O)C1=NO[C@H](C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001606408851 1076368676 /nfs/dbraw/zinc/36/86/76/1076368676.db2.gz JACWHXDORLGHRN-JTQLQIEISA-N 1 2 379.402 -1.140 20 0 GAADLO NC(=O)C1=NO[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001606408853 1076368692 /nfs/dbraw/zinc/36/86/92/1076368692.db2.gz JACWHXDORLGHRN-SNVBAGLBSA-N 1 2 379.402 -1.140 20 0 GAADLO NC(=O)CC(=O)N1CC[NH+]([C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)CC1 ZINC001606412481 1076369167 /nfs/dbraw/zinc/36/91/67/1076369167.db2.gz NEFWRMDGPPYTGE-LLVKDONJSA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[NH+]([C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)CC1 ZINC001606412482 1076369115 /nfs/dbraw/zinc/36/91/15/1076369115.db2.gz NEFWRMDGPPYTGE-NSHDSACASA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[NH+]([C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001606412517 1076369123 /nfs/dbraw/zinc/36/91/23/1076369123.db2.gz NYNFSBFUGQGECU-LLVKDONJSA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)CC(=O)N1CC[NH+]([C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001606412518 1076369135 /nfs/dbraw/zinc/36/91/35/1076369135.db2.gz NYNFSBFUGQGECU-NSHDSACASA-N 1 2 386.420 -1.745 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001606422412 1076370229 /nfs/dbraw/zinc/37/02/29/1076370229.db2.gz IPUHYSJVXCIEPZ-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001606422412 1076370225 /nfs/dbraw/zinc/37/02/25/1076370225.db2.gz IPUHYSJVXCIEPZ-OLZOCXBDSA-N 1 2 392.395 -1.275 20 0 GAADLO NC(=O)NCCC(=O)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001606422507 1076370191 /nfs/dbraw/zinc/37/01/91/1076370191.db2.gz LVWKNBFPJYDFMY-UHFFFAOYSA-N 1 2 388.436 -1.442 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001606426724 1076370940 /nfs/dbraw/zinc/37/09/40/1076370940.db2.gz OVXPQOWUEASGFJ-MNOVXSKESA-N 1 2 386.420 -1.984 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001606427220 1076371102 /nfs/dbraw/zinc/37/11/02/1076371102.db2.gz ZCHCJMHTVGMTPM-WVWOOGAGSA-N 1 2 389.391 -1.212 20 0 GAADLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O ZINC001606427220 1076371100 /nfs/dbraw/zinc/37/11/00/1076371100.db2.gz ZCHCJMHTVGMTPM-WVWOOGAGSA-N 1 2 389.391 -1.212 20 0 GAADLO O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001606522297 1076374981 /nfs/dbraw/zinc/37/49/81/1076374981.db2.gz VDMQYDQFMJYHQF-SECBINFHSA-N 1 2 378.368 -1.054 20 0 GAADLO O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001606522297 1076374976 /nfs/dbraw/zinc/37/49/76/1076374976.db2.gz VDMQYDQFMJYHQF-SECBINFHSA-N 1 2 378.368 -1.054 20 0 GAADLO O=C(CC[N@@H+]1CC[C@H](F)C1)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001606522298 1076374945 /nfs/dbraw/zinc/37/49/45/1076374945.db2.gz VDMQYDQFMJYHQF-VIFPVBQESA-N 1 2 378.368 -1.054 20 0 GAADLO O=C(CC[N@H+]1CC[C@H](F)C1)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001606522298 1076374941 /nfs/dbraw/zinc/37/49/41/1076374941.db2.gz VDMQYDQFMJYHQF-VIFPVBQESA-N 1 2 378.368 -1.054 20 0 GAADLO O=C(CC[NH+]1CCOCC1)N(CCO)CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001606524454 1076375300 /nfs/dbraw/zinc/37/53/00/1076375300.db2.gz HDROJEOUOUUPQV-UHFFFAOYSA-N 1 2 391.436 -1.388 20 0 GAADLO O=C(CCN1CCOCC1)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001606524487 1076375191 /nfs/dbraw/zinc/37/51/91/1076375191.db2.gz IIOJFBDCFGLGAY-UKRRQHHQSA-N 1 2 388.432 -1.350 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1 ZINC001606524683 1076375234 /nfs/dbraw/zinc/37/52/34/1076375234.db2.gz QCORPMNNNFFFLD-LLVKDONJSA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1 ZINC001606524684 1076375327 /nfs/dbraw/zinc/37/53/27/1076375327.db2.gz QCORPMNNNFFFLD-NSHDSACASA-N 1 2 377.409 -1.732 20 0 GAADLO O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC001606540163 1076376021 /nfs/dbraw/zinc/37/60/21/1076376021.db2.gz JMFVVFRUJWCLFC-NSHDSACASA-N 1 2 392.420 -1.518 20 0 GAADLO O=C(C[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1)N1CCOCC1 ZINC001606554448 1076379553 /nfs/dbraw/zinc/37/95/53/1076379553.db2.gz MQYSJMRAFFNKEM-UHFFFAOYSA-N 1 2 381.418 -1.516 20 0 GAADLO O=C(Cc1cc[nH]n1)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001606607084 1076380667 /nfs/dbraw/zinc/38/06/67/1076380667.db2.gz CBFOCXKGZSFVAU-UHFFFAOYSA-N 1 2 383.420 -1.139 20 0 GAADLO O=C(Cc1nnc[nH]1)N1CCC[C@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606613823 1076380805 /nfs/dbraw/zinc/38/08/05/1076380805.db2.gz HIGDZYOZCBWAJS-INIZCTEOSA-N 1 2 384.404 -1.190 20 0 GAADLO O=C(Cc1nnc[nH]1)N1CCC[C@@](CO)(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606613824 1076381066 /nfs/dbraw/zinc/38/10/66/1076381066.db2.gz HIGDZYOZCBWAJS-MRXNPFEDSA-N 1 2 384.404 -1.190 20 0 GAADLO CN1CCn2ncc(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2S1(=O)=O ZINC001606615088 1076381131 /nfs/dbraw/zinc/38/11/31/1076381131.db2.gz ATDUCXFMQAMGEP-GFCCVEGCSA-N 1 2 398.489 -1.166 20 0 GAADLO CN1CCn2ncc(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2S1(=O)=O ZINC001606615088 1076381129 /nfs/dbraw/zinc/38/11/29/1076381129.db2.gz ATDUCXFMQAMGEP-GFCCVEGCSA-N 1 2 398.489 -1.166 20 0 GAADLO CN1CCn2ncc(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)c2S1(=O)=O ZINC001606615089 1076381061 /nfs/dbraw/zinc/38/10/61/1076381061.db2.gz ATDUCXFMQAMGEP-LBPRGKRZSA-N 1 2 398.489 -1.166 20 0 GAADLO CN1CCn2ncc(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2S1(=O)=O ZINC001606615089 1076381054 /nfs/dbraw/zinc/38/10/54/1076381054.db2.gz ATDUCXFMQAMGEP-LBPRGKRZSA-N 1 2 398.489 -1.166 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001606615493 1076381857 /nfs/dbraw/zinc/38/18/57/1076381857.db2.gz VXTPNJNXLUMBAL-NEPJUHHUSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001606615493 1076381853 /nfs/dbraw/zinc/38/18/53/1076381853.db2.gz VXTPNJNXLUMBAL-NEPJUHHUSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001606615498 1076381896 /nfs/dbraw/zinc/38/18/96/1076381896.db2.gz VXTPNJNXLUMBAL-NWDGAFQWSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001606615498 1076381892 /nfs/dbraw/zinc/38/18/92/1076381892.db2.gz VXTPNJNXLUMBAL-NWDGAFQWSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001606615500 1076381930 /nfs/dbraw/zinc/38/19/30/1076381930.db2.gz VXTPNJNXLUMBAL-RYUDHWBXSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001606615500 1076381924 /nfs/dbraw/zinc/38/19/24/1076381924.db2.gz VXTPNJNXLUMBAL-RYUDHWBXSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001606615502 1076382100 /nfs/dbraw/zinc/38/21/00/1076382100.db2.gz VXTPNJNXLUMBAL-VXGBXAGGSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001606615502 1076382095 /nfs/dbraw/zinc/38/20/95/1076382095.db2.gz VXTPNJNXLUMBAL-VXGBXAGGSA-N 1 2 390.404 -1.813 20 0 GAADLO O=C(Cn1cncn1)NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001606623820 1076382454 /nfs/dbraw/zinc/38/24/54/1076382454.db2.gz KHQPVKKAMWIJIZ-UHFFFAOYSA-N 1 2 383.420 -1.208 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001606624848 1076382841 /nfs/dbraw/zinc/38/28/41/1076382841.db2.gz GPYJDMFTHFAUEE-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O ZINC001606624848 1076382837 /nfs/dbraw/zinc/38/28/37/1076382837.db2.gz GPYJDMFTHFAUEE-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001606625079 1076382743 /nfs/dbraw/zinc/38/27/43/1076382743.db2.gz CALTUHOJRZTEQM-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O ZINC001606625079 1076382739 /nfs/dbraw/zinc/38/27/39/1076382739.db2.gz CALTUHOJRZTEQM-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001606625203 1076383159 /nfs/dbraw/zinc/38/31/59/1076383159.db2.gz GYIFYHOHHNLYFE-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O ZINC001606625203 1076383157 /nfs/dbraw/zinc/38/31/57/1076383157.db2.gz GYIFYHOHHNLYFE-CHWSQXEVSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001606625239 1076383167 /nfs/dbraw/zinc/38/31/67/1076383167.db2.gz JPZGGQMTJOBJKL-NXEZZACHSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1cnnn1)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001606625239 1076383166 /nfs/dbraw/zinc/38/31/66/1076383166.db2.gz JPZGGQMTJOBJKL-NXEZZACHSA-N 1 2 376.406 -1.724 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001606625671 1076383752 /nfs/dbraw/zinc/38/37/52/1076383752.db2.gz OFGLWRUKGCTTDC-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1ncnn1)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001606625671 1076383748 /nfs/dbraw/zinc/38/37/48/1076383748.db2.gz OFGLWRUKGCTTDC-OLZOCXBDSA-N 1 2 388.367 -1.646 20 0 GAADLO O=C(Cn1cnnn1)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001606625773 1076383694 /nfs/dbraw/zinc/38/36/94/1076383694.db2.gz QOQFXOSZMYQLKC-UHFFFAOYSA-N 1 2 384.408 -1.813 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnccc1-c1nn[nH]n1 ZINC001606648459 1076384436 /nfs/dbraw/zinc/38/44/36/1076384436.db2.gz UQZZZRVXHWZJCR-GFCCVEGCSA-N 1 2 386.416 -1.075 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnccc1-c1nn[nH]n1 ZINC001606648463 1076384518 /nfs/dbraw/zinc/38/45/18/1076384518.db2.gz UQZZZRVXHWZJCR-LBPRGKRZSA-N 1 2 386.416 -1.075 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)c1cnn[nH]1 ZINC001606767530 1076389990 /nfs/dbraw/zinc/38/99/90/1076389990.db2.gz AIGUPZFUHAHBED-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)c1cn[nH]n1 ZINC001606767530 1076389980 /nfs/dbraw/zinc/38/99/80/1076389980.db2.gz AIGUPZFUHAHBED-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)c1nnc[nH]1 ZINC001606767898 1076390047 /nfs/dbraw/zinc/39/00/47/1076390047.db2.gz KVJVYFVKRITXFB-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)c1nnc[nH]1 ZINC001606768323 1076390322 /nfs/dbraw/zinc/39/03/22/1076390322.db2.gz QQLVEIZJVUZOGO-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)c1cnn[nH]1 ZINC001606769369 1076390468 /nfs/dbraw/zinc/39/04/68/1076390468.db2.gz XKQKWVZRYPJNRG-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1)c1cn[nH]n1 ZINC001606769369 1076390466 /nfs/dbraw/zinc/39/04/66/1076390466.db2.gz XKQKWVZRYPJNRG-UHFFFAOYSA-N 1 2 384.408 -1.283 20 0 GAADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001606803424 1076391283 /nfs/dbraw/zinc/39/12/83/1076391283.db2.gz WPTARENJYLCORE-UHFFFAOYSA-N 1 2 396.415 -1.077 20 0 GAADLO O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001606873176 1076392352 /nfs/dbraw/zinc/39/23/52/1076392352.db2.gz QEYRPCLPLPNGAA-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001606873176 1076392350 /nfs/dbraw/zinc/39/23/50/1076392350.db2.gz QEYRPCLPLPNGAA-OLZOCXBDSA-N 1 2 385.388 -1.148 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001606875323 1076393380 /nfs/dbraw/zinc/39/33/80/1076393380.db2.gz VYQWXIGICLXOLO-LERXQTSPSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001606875324 1076393405 /nfs/dbraw/zinc/39/34/05/1076393405.db2.gz VYQWXIGICLXOLO-ZLKJLUDKSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001606875953 1076394203 /nfs/dbraw/zinc/39/42/03/1076394203.db2.gz WVXSDEGMLZHEMZ-RTXFEEFZSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001606875955 1076394153 /nfs/dbraw/zinc/39/41/53/1076394153.db2.gz WVXSDEGMLZHEMZ-UHTWSYAYSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001606876043 1076394098 /nfs/dbraw/zinc/39/40/98/1076394098.db2.gz KHFKPVCCLNTIHC-CYZMBNFOSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001606876045 1076394059 /nfs/dbraw/zinc/39/40/59/1076394059.db2.gz KHFKPVCCLNTIHC-RAIGVLPGSA-N 1 2 396.415 -1.219 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001607045382 1076397779 /nfs/dbraw/zinc/39/77/79/1076397779.db2.gz KAKUQGXHPJPWLA-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001607045382 1076397776 /nfs/dbraw/zinc/39/77/76/1076397776.db2.gz KAKUQGXHPJPWLA-MJBXVCDLSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001607045385 1076397839 /nfs/dbraw/zinc/39/78/39/1076397839.db2.gz KJVPVKZOHMDYRL-AXFHLTTASA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001607045385 1076397834 /nfs/dbraw/zinc/39/78/34/1076397834.db2.gz KJVPVKZOHMDYRL-AXFHLTTASA-N 1 2 377.430 -1.132 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001607046463 1076398219 /nfs/dbraw/zinc/39/82/19/1076398219.db2.gz FLOLPDHJRKAXMT-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001607046463 1076398216 /nfs/dbraw/zinc/39/82/16/1076398216.db2.gz FLOLPDHJRKAXMT-MCIONIFRSA-N 1 2 389.391 -1.054 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@H]1CCC(=O)N1 ZINC001607046618 1076398529 /nfs/dbraw/zinc/39/85/29/1076398529.db2.gz MDMUQSJVALQBCS-CYBMUJFWSA-N 1 2 385.432 -1.222 20 0 GAADLO O=C(CN1CCNC(=O)C1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001607046709 1076398442 /nfs/dbraw/zinc/39/84/42/1076398442.db2.gz HAMXKXXNDIFOKV-UHFFFAOYSA-N 1 2 384.444 -1.057 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001607048463 1076399444 /nfs/dbraw/zinc/39/94/44/1076399444.db2.gz NKQSWGTVTPRTRW-AGIUHOORSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001607048463 1076399440 /nfs/dbraw/zinc/39/94/40/1076399440.db2.gz NKQSWGTVTPRTRW-AGIUHOORSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001607048464 1076399462 /nfs/dbraw/zinc/39/94/62/1076399462.db2.gz NKQSWGTVTPRTRW-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001607048464 1076399460 /nfs/dbraw/zinc/39/94/60/1076399460.db2.gz NKQSWGTVTPRTRW-FRRDWIJNSA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001607048465 1076399495 /nfs/dbraw/zinc/39/94/95/1076399495.db2.gz NKQSWGTVTPRTRW-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001607048465 1076399492 /nfs/dbraw/zinc/39/94/92/1076399492.db2.gz NKQSWGTVTPRTRW-JHJVBQTASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001607048466 1076399406 /nfs/dbraw/zinc/39/94/06/1076399406.db2.gz NKQSWGTVTPRTRW-UPJWGTAASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001607048466 1076399403 /nfs/dbraw/zinc/39/94/03/1076399403.db2.gz NKQSWGTVTPRTRW-UPJWGTAASA-N 1 2 391.363 -1.225 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@H]1CNC(=O)N1 ZINC001607050125 1076400541 /nfs/dbraw/zinc/40/05/41/1076400541.db2.gz NCSRCGFMHHCMBF-GFCCVEGCSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(NCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@@H]1CNC(=O)N1 ZINC001607050127 1076400475 /nfs/dbraw/zinc/40/04/75/1076400475.db2.gz NCSRCGFMHHCMBF-LBPRGKRZSA-N 1 2 386.420 -1.819 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1CCNC1=O ZINC001607051553 1076401914 /nfs/dbraw/zinc/40/19/14/1076401914.db2.gz BCBIWGDMYIPSHA-IACUBPJLSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@H]1CCNC1=O ZINC001607051553 1076401909 /nfs/dbraw/zinc/40/19/09/1076401909.db2.gz BCBIWGDMYIPSHA-IACUBPJLSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1CCNC1=O ZINC001607051563 1076401855 /nfs/dbraw/zinc/40/18/55/1076401855.db2.gz BCBIWGDMYIPSHA-MRVWCRGKSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O)[C@@H]1CCNC1=O ZINC001607051563 1076401853 /nfs/dbraw/zinc/40/18/53/1076401853.db2.gz BCBIWGDMYIPSHA-MRVWCRGKSA-N 1 2 389.391 -1.197 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@@H]1CCNC1=O ZINC001607052710 1076402201 /nfs/dbraw/zinc/40/22/01/1076402201.db2.gz KQNMPJPTENRMNM-LLVKDONJSA-N 1 2 386.420 -1.969 20 0 GAADLO O=C(NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1)[C@H]1CCNC1=O ZINC001607052946 1076402211 /nfs/dbraw/zinc/40/22/11/1076402211.db2.gz KQNMPJPTENRMNM-NSHDSACASA-N 1 2 386.420 -1.969 20 0 GAADLO O=c1[nH]c(=O)n(CCNS(=O)(=O)CCC[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC001607088686 1076403540 /nfs/dbraw/zinc/40/35/40/1076403540.db2.gz UOQDADFFJFEDFJ-UHFFFAOYSA-N 1 2 398.449 -1.466 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428066 1076405101 /nfs/dbraw/zinc/40/51/01/1076405101.db2.gz HGMSVFAQAUBTAM-IPYPFGDCSA-N 1 2 382.461 -1.028 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428066 1076405099 /nfs/dbraw/zinc/40/50/99/1076405099.db2.gz HGMSVFAQAUBTAM-IPYPFGDCSA-N 1 2 382.461 -1.028 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428070 1076405036 /nfs/dbraw/zinc/40/50/36/1076405036.db2.gz HGMSVFAQAUBTAM-NFAWXSAZSA-N 1 2 382.461 -1.028 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C(=O)[O-])O1 ZINC001607428070 1076405035 /nfs/dbraw/zinc/40/50/35/1076405035.db2.gz HGMSVFAQAUBTAM-NFAWXSAZSA-N 1 2 382.461 -1.028 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C[C@H](C)[N@@H+]1CCO ZINC001607467462 1076405417 /nfs/dbraw/zinc/40/54/17/1076405417.db2.gz WSVLMIBPSYWHKH-OKILXGFUSA-N 1 2 384.477 -1.093 20 0 GAADLO C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)C[C@H](C)[N@H+]1CCO ZINC001607467462 1076405415 /nfs/dbraw/zinc/40/54/15/1076405415.db2.gz WSVLMIBPSYWHKH-OKILXGFUSA-N 1 2 384.477 -1.093 20 0 GAADLO C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001609069276 1076412667 /nfs/dbraw/zinc/41/26/67/1076412667.db2.gz VDWRUQFEIMUORD-GFCCVEGCSA-N 1 2 391.436 -1.295 20 0 GAADLO C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001609069277 1076412600 /nfs/dbraw/zinc/41/26/00/1076412600.db2.gz VDWRUQFEIMUORD-LBPRGKRZSA-N 1 2 391.436 -1.295 20 0 GAADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cncc(-c3nn[nH]n3)c2=O)C1 ZINC001609096140 1076412561 /nfs/dbraw/zinc/41/25/61/1076412561.db2.gz JPURQOFKEQFAPT-GFCCVEGCSA-N 1 2 376.421 -1.104 20 0 GAADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cncc(-c3nn[nH]n3)c2=O)C1 ZINC001609096140 1076412555 /nfs/dbraw/zinc/41/25/55/1076412555.db2.gz JPURQOFKEQFAPT-GFCCVEGCSA-N 1 2 376.421 -1.104 20 0 GAADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cncc(-c3nn[nH]n3)c2=O)C1 ZINC001609096141 1076412396 /nfs/dbraw/zinc/41/23/96/1076412396.db2.gz JPURQOFKEQFAPT-LBPRGKRZSA-N 1 2 376.421 -1.104 20 0 GAADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cncc(-c3nn[nH]n3)c2=O)C1 ZINC001609096141 1076412393 /nfs/dbraw/zinc/41/23/93/1076412393.db2.gz JPURQOFKEQFAPT-LBPRGKRZSA-N 1 2 376.421 -1.104 20 0 GAADLO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001609215490 1076414532 /nfs/dbraw/zinc/41/45/32/1076414532.db2.gz LVQQYMCIGWYIOI-UHFFFAOYSA-N 1 2 376.425 -1.435 20 0 GAADLO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001609268318 1076415769 /nfs/dbraw/zinc/41/57/69/1076415769.db2.gz ZCHDDDRXXFLXHL-UHFFFAOYSA-N 1 2 385.450 -1.177 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCOC3(CC[NH+](C)CC3)C2)n(C)c1=O ZINC001609284528 1076416671 /nfs/dbraw/zinc/41/66/71/1076416671.db2.gz RLWAMOLUNAMXBP-UHFFFAOYSA-N 1 2 376.421 -1.435 20 0 GAADLO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)n2)CC1 ZINC001609285290 1076416673 /nfs/dbraw/zinc/41/66/73/1076416673.db2.gz MYOQPZQJTUZIFW-UHFFFAOYSA-N 1 2 387.404 -1.520 20 0 GAADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC[N@@H+](C)C1 ZINC001609297688 1076417749 /nfs/dbraw/zinc/41/77/49/1076417749.db2.gz YIDZBQWWBBIHJZ-JTQLQIEISA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC[N@H+](C)C1 ZINC001609297688 1076417747 /nfs/dbraw/zinc/41/77/47/1076417747.db2.gz YIDZBQWWBBIHJZ-JTQLQIEISA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC[N@@H+](C)C1 ZINC001609297689 1076418323 /nfs/dbraw/zinc/41/83/23/1076418323.db2.gz YIDZBQWWBBIHJZ-SNVBAGLBSA-N 1 2 381.418 -1.013 20 0 GAADLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC[N@H+](C)C1 ZINC001609297689 1076418320 /nfs/dbraw/zinc/41/83/20/1076418320.db2.gz YIDZBQWWBBIHJZ-SNVBAGLBSA-N 1 2 381.418 -1.013 20 0 GAADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC001609375151 1076420174 /nfs/dbraw/zinc/42/01/74/1076420174.db2.gz JFUJKJBPBMROGM-LLVKDONJSA-N 1 2 390.448 -1.046 20 0 GAADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC001609375151 1076420173 /nfs/dbraw/zinc/42/01/73/1076420173.db2.gz JFUJKJBPBMROGM-LLVKDONJSA-N 1 2 390.448 -1.046 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)CC2)o1 ZINC001609446149 1076420478 /nfs/dbraw/zinc/42/04/78/1076420478.db2.gz OFVMZJVWXABOMK-LLVKDONJSA-N 1 2 394.436 -1.513 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](CCO)C[C@@H](C)O)CC2)o1 ZINC001609446149 1076420474 /nfs/dbraw/zinc/42/04/74/1076420474.db2.gz OFVMZJVWXABOMK-LLVKDONJSA-N 1 2 394.436 -1.513 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+](CCO)C[C@H](C)O)CC2)o1 ZINC001609446150 1076420600 /nfs/dbraw/zinc/42/06/00/1076420600.db2.gz OFVMZJVWXABOMK-NSHDSACASA-N 1 2 394.436 -1.513 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+](CCO)C[C@H](C)O)CC2)o1 ZINC001609446150 1076420598 /nfs/dbraw/zinc/42/05/98/1076420598.db2.gz OFVMZJVWXABOMK-NSHDSACASA-N 1 2 394.436 -1.513 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3CO)CC2)o1 ZINC001609446224 1076420337 /nfs/dbraw/zinc/42/03/37/1076420337.db2.gz RSZZJUACHPMEOH-RYUDHWBXSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@H]3CO)CC2)o1 ZINC001609446224 1076420334 /nfs/dbraw/zinc/42/03/34/1076420334.db2.gz RSZZJUACHPMEOH-RYUDHWBXSA-N 1 2 392.420 -1.761 20 0 GAADLO Cc1nn(C)c(N2CC[NH+](CCS(=O)(=O)N(C)C)CC2)c1-c1nn[nH]n1 ZINC001609459038 1076420885 /nfs/dbraw/zinc/42/08/85/1076420885.db2.gz WMYLAKNKVTVOAT-UHFFFAOYSA-N 1 2 383.482 -1.078 20 0 GAADLO Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n(C)c1=O ZINC001609476390 1076420930 /nfs/dbraw/zinc/42/09/30/1076420930.db2.gz ADNJGWAMLJIMJK-LBPRGKRZSA-N 1 2 390.448 -1.187 20 0 GAADLO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001609506398 1076423164 /nfs/dbraw/zinc/42/31/64/1076423164.db2.gz YKQFCILPTOMESK-UHFFFAOYSA-N 1 2 395.374 -1.380 20 0 GAADLO O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](CCO)CC1 ZINC001609527654 1076424040 /nfs/dbraw/zinc/42/40/40/1076424040.db2.gz ODDCGTYOWFCPGL-UHFFFAOYSA-N 1 2 395.445 -1.719 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001609551982 1076425519 /nfs/dbraw/zinc/42/55/19/1076425519.db2.gz SUAPDPIWVJHJQT-GFCCVEGCSA-N 1 2 376.425 -1.178 20 0 GAADLO O=C(NCCn1cnc(-c2nn[nH]n2)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001609551983 1076425343 /nfs/dbraw/zinc/42/53/43/1076425343.db2.gz SUAPDPIWVJHJQT-LBPRGKRZSA-N 1 2 376.425 -1.178 20 0 GAADLO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001609589218 1076426227 /nfs/dbraw/zinc/42/62/27/1076426227.db2.gz NVKHYASKRFWZPT-LLVKDONJSA-N 1 2 392.445 -1.153 20 0 GAADLO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001609589219 1076426285 /nfs/dbraw/zinc/42/62/85/1076426285.db2.gz NVKHYASKRFWZPT-NSHDSACASA-N 1 2 392.445 -1.153 20 0 GAADLO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC001609817002 1076427331 /nfs/dbraw/zinc/42/73/31/1076427331.db2.gz SFPJKPFYIVSGDZ-UHFFFAOYSA-N 1 2 384.477 -1.091 20 0 GAADLO CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC001609817002 1076427329 /nfs/dbraw/zinc/42/73/29/1076427329.db2.gz SFPJKPFYIVSGDZ-UHFFFAOYSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001609867399 1076427359 /nfs/dbraw/zinc/42/73/59/1076427359.db2.gz BBZDCNULKUXZTP-AWEZNQCLSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001609867399 1076427357 /nfs/dbraw/zinc/42/73/57/1076427357.db2.gz BBZDCNULKUXZTP-AWEZNQCLSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001609867400 1076427443 /nfs/dbraw/zinc/42/74/43/1076427443.db2.gz BBZDCNULKUXZTP-CQSZACIVSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001609867400 1076427439 /nfs/dbraw/zinc/42/74/39/1076427439.db2.gz BBZDCNULKUXZTP-CQSZACIVSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@H]1C[NH+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC001609869688 1076427471 /nfs/dbraw/zinc/42/74/71/1076427471.db2.gz KSPKBMWPXSCCAW-AWEZNQCLSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@H]1C[NH+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC001609869688 1076427469 /nfs/dbraw/zinc/42/74/69/1076427469.db2.gz KSPKBMWPXSCCAW-AWEZNQCLSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC001609869688 1076427467 /nfs/dbraw/zinc/42/74/67/1076427467.db2.gz KSPKBMWPXSCCAW-AWEZNQCLSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC001609869688 1076427464 /nfs/dbraw/zinc/42/74/64/1076427464.db2.gz KSPKBMWPXSCCAW-AWEZNQCLSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@@H]1C[NH+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC001609869691 1076427407 /nfs/dbraw/zinc/42/74/07/1076427407.db2.gz KSPKBMWPXSCCAW-CQSZACIVSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@@H]1C[NH+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC001609869691 1076427405 /nfs/dbraw/zinc/42/74/05/1076427405.db2.gz KSPKBMWPXSCCAW-CQSZACIVSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC001609869691 1076427403 /nfs/dbraw/zinc/42/74/03/1076427403.db2.gz KSPKBMWPXSCCAW-CQSZACIVSA-N 1 2 384.477 -1.091 20 0 GAADLO C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC001609869691 1076427400 /nfs/dbraw/zinc/42/74/00/1076427400.db2.gz KSPKBMWPXSCCAW-CQSZACIVSA-N 1 2 384.477 -1.091 20 0 GAADLO C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)CC1 ZINC001610129073 1076429246 /nfs/dbraw/zinc/42/92/46/1076429246.db2.gz BAMUYHIYALXDTN-HNNXBMFYSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC001610129086 1076429170 /nfs/dbraw/zinc/42/91/70/1076429170.db2.gz BAMUYHIYALXDTN-OAHLLOKOSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130235 1076429183 /nfs/dbraw/zinc/42/91/83/1076429183.db2.gz OGCNIBOLFNSDGI-DZGCQCFKSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130235 1076429181 /nfs/dbraw/zinc/42/91/81/1076429181.db2.gz OGCNIBOLFNSDGI-DZGCQCFKSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130236 1076429222 /nfs/dbraw/zinc/42/92/22/1076429222.db2.gz OGCNIBOLFNSDGI-HIFRSBDPSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130236 1076429220 /nfs/dbraw/zinc/42/92/20/1076429220.db2.gz OGCNIBOLFNSDGI-HIFRSBDPSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130238 1076429295 /nfs/dbraw/zinc/42/92/95/1076429295.db2.gz OGCNIBOLFNSDGI-UKRRQHHQSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130238 1076429291 /nfs/dbraw/zinc/42/92/91/1076429291.db2.gz OGCNIBOLFNSDGI-UKRRQHHQSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130240 1076429284 /nfs/dbraw/zinc/42/92/84/1076429284.db2.gz OGCNIBOLFNSDGI-ZFWWWQNUSA-N 1 2 382.461 -1.027 20 0 GAADLO C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](CC(=O)[O-])C3)C2)CC1 ZINC001610130240 1076429281 /nfs/dbraw/zinc/42/92/81/1076429281.db2.gz OGCNIBOLFNSDGI-ZFWWWQNUSA-N 1 2 382.461 -1.027 20 0 GAADLO CCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614041481 1076437194 /nfs/dbraw/zinc/43/71/94/1076437194.db2.gz UXSQFNDRYBZFDC-HNNXBMFYSA-N 1 2 393.492 -1.044 20 0 GAADLO CCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614041482 1076437236 /nfs/dbraw/zinc/43/72/36/1076437236.db2.gz UXSQFNDRYBZFDC-OAHLLOKOSA-N 1 2 393.492 -1.044 20 0 GAADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001616518723 1076438357 /nfs/dbraw/zinc/43/83/57/1076438357.db2.gz QODVWGBWNNVUDT-DTZQCDIJSA-N 1 2 378.477 -1.338 20 0 GAADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001616518827 1076438340 /nfs/dbraw/zinc/43/83/40/1076438340.db2.gz QODVWGBWNNVUDT-LCGIIJARSA-N 1 2 378.477 -1.338 20 0 GAADLO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 ZINC001617215049 1076439065 /nfs/dbraw/zinc/43/90/65/1076439065.db2.gz GBHDSXDHRHLRLY-UHFFFAOYSA-N 1 2 385.490 -1.017 20 0 GAADLO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC001618360888 1076440105 /nfs/dbraw/zinc/44/01/05/1076440105.db2.gz BJMBOEBUQCNQMY-HUUCEWRRSA-N 1 2 376.413 -1.244 20 0 GAADLO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC001618360888 1076440104 /nfs/dbraw/zinc/44/01/04/1076440104.db2.gz BJMBOEBUQCNQMY-HUUCEWRRSA-N 1 2 376.413 -1.244 20 0 GAADLO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432595 1076440468 /nfs/dbraw/zinc/44/04/68/1076440468.db2.gz WZDQWCRKNIPQTH-BBRMVZONSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432595 1076440465 /nfs/dbraw/zinc/44/04/65/1076440465.db2.gz WZDQWCRKNIPQTH-BBRMVZONSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432596 1076440513 /nfs/dbraw/zinc/44/05/13/1076440513.db2.gz WZDQWCRKNIPQTH-CJNGLKHVSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432596 1076440511 /nfs/dbraw/zinc/44/05/11/1076440511.db2.gz WZDQWCRKNIPQTH-CJNGLKHVSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432597 1076440755 /nfs/dbraw/zinc/44/07/55/1076440755.db2.gz WZDQWCRKNIPQTH-CZUORRHYSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432597 1076440750 /nfs/dbraw/zinc/44/07/50/1076440750.db2.gz WZDQWCRKNIPQTH-CZUORRHYSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432598 1076440858 /nfs/dbraw/zinc/44/08/58/1076440858.db2.gz WZDQWCRKNIPQTH-XJKSGUPXSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001618432598 1076440855 /nfs/dbraw/zinc/44/08/55/1076440855.db2.gz WZDQWCRKNIPQTH-XJKSGUPXSA-N 1 2 399.469 -1.069 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001618475157 1076440688 /nfs/dbraw/zinc/44/06/88/1076440688.db2.gz FVNBWTYVALIWNU-CHWSQXEVSA-N 1 2 378.433 -1.405 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001618475171 1076440785 /nfs/dbraw/zinc/44/07/85/1076440785.db2.gz FVNBWTYVALIWNU-OLZOCXBDSA-N 1 2 378.433 -1.405 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001618475173 1076440680 /nfs/dbraw/zinc/44/06/80/1076440680.db2.gz FVNBWTYVALIWNU-QWHCGFSZSA-N 1 2 378.433 -1.405 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001618475175 1076440808 /nfs/dbraw/zinc/44/08/08/1076440808.db2.gz FVNBWTYVALIWNU-STQMWFEESA-N 1 2 378.433 -1.405 20 0 GAADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618477220 1076440743 /nfs/dbraw/zinc/44/07/43/1076440743.db2.gz YYZYKNFLPDTNIP-DZGCQCFKSA-N 1 2 390.506 -1.391 20 0 GAADLO CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001618477221 1076441376 /nfs/dbraw/zinc/44/13/76/1076441376.db2.gz YYZYKNFLPDTNIP-UKRRQHHQSA-N 1 2 390.506 -1.391 20 0 GAADLO Cc1cn2nnc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2c(=O)[nH]1 ZINC001618477236 1076441330 /nfs/dbraw/zinc/44/13/30/1076441330.db2.gz ZJTWXYIZSKUMMG-GFCCVEGCSA-N 1 2 389.416 -1.199 20 0 GAADLO Cc1cn2nnc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2c(=O)[nH]1 ZINC001618477237 1076441321 /nfs/dbraw/zinc/44/13/21/1076441321.db2.gz ZJTWXYIZSKUMMG-LBPRGKRZSA-N 1 2 389.416 -1.199 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001618485078 1076441674 /nfs/dbraw/zinc/44/16/74/1076441674.db2.gz OBDHALDSATVEKI-AWEZNQCLSA-N 1 2 397.501 -1.200 20 0 GAADLO Cn1c[nH+]cc1CCC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001618485093 1076441701 /nfs/dbraw/zinc/44/17/01/1076441701.db2.gz OBDHALDSATVEKI-CQSZACIVSA-N 1 2 397.501 -1.200 20 0 GAADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001618545487 1076441661 /nfs/dbraw/zinc/44/16/61/1076441661.db2.gz MKFMFTMVWLNTPK-AWEZNQCLSA-N 1 2 379.465 -1.171 20 0 GAADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001618545492 1076441689 /nfs/dbraw/zinc/44/16/89/1076441689.db2.gz MKFMFTMVWLNTPK-CQSZACIVSA-N 1 2 379.465 -1.171 20 0 GAADLO CN(CCCNC(=O)C[NH+]1CCC(O)(c2ncnn2C)CC1)S(C)(=O)=O ZINC001620549799 1076444817 /nfs/dbraw/zinc/44/48/17/1076444817.db2.gz QOXBJEDKFRPYCF-UHFFFAOYSA-N 1 2 388.494 -1.504 20 0 GAADLO CNC(=O)CN1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC001620596193 1076445002 /nfs/dbraw/zinc/44/50/02/1076445002.db2.gz DJWAFMRMFHUNCZ-UHFFFAOYSA-N 1 2 377.511 -1.862 20 0 GAADLO CNC(=O)CN1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC001620596193 1076444998 /nfs/dbraw/zinc/44/49/98/1076444998.db2.gz DJWAFMRMFHUNCZ-UHFFFAOYSA-N 1 2 377.511 -1.862 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC001620596193 1076444993 /nfs/dbraw/zinc/44/49/93/1076444993.db2.gz DJWAFMRMFHUNCZ-UHFFFAOYSA-N 1 2 377.511 -1.862 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC001620596193 1076444988 /nfs/dbraw/zinc/44/49/88/1076444988.db2.gz DJWAFMRMFHUNCZ-UHFFFAOYSA-N 1 2 377.511 -1.862 20 0 GAADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001621628536 1076445793 /nfs/dbraw/zinc/44/57/93/1076445793.db2.gz OEWDDRFJOKDSHY-UHFFFAOYSA-N 1 2 382.508 -1.992 20 0 GAADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CCCCS(N)(=O)=O)CC1 ZINC001621758952 1076446520 /nfs/dbraw/zinc/44/65/20/1076446520.db2.gz WFTQBSMLBXVRCQ-UHFFFAOYSA-N 1 2 384.524 -1.473 20 0 GAADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1 ZINC001621758987 1076446557 /nfs/dbraw/zinc/44/65/57/1076446557.db2.gz XDIGXRXGLVWLMH-UHFFFAOYSA-N 1 2 396.535 -1.650 20 0 GAADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001623781251 1076453740 /nfs/dbraw/zinc/45/37/40/1076453740.db2.gz YUJIYTNJRURPHR-UHFFFAOYSA-N 1 2 376.417 -1.243 20 0 GAADLO CC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC001624387812 1076455185 /nfs/dbraw/zinc/45/51/85/1076455185.db2.gz BBPLFPFQYGEVHA-UHFFFAOYSA-N 1 2 399.477 -1.883 20 0 GAADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001624415200 1076455208 /nfs/dbraw/zinc/45/52/08/1076455208.db2.gz LMMXNYFOVLMODS-KBPBESRZSA-N 1 2 390.506 -1.389 20 0 GAADLO CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001624415209 1076455173 /nfs/dbraw/zinc/45/51/73/1076455173.db2.gz LMMXNYFOVLMODS-KGLIPLIRSA-N 1 2 390.506 -1.389 20 0 GAADLO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001624415211 1076455192 /nfs/dbraw/zinc/45/51/92/1076455192.db2.gz LMMXNYFOVLMODS-UONOGXRCSA-N 1 2 390.506 -1.389 20 0 GAADLO CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001624415213 1076455157 /nfs/dbraw/zinc/45/51/57/1076455157.db2.gz LMMXNYFOVLMODS-ZIAGYGMSSA-N 1 2 390.506 -1.389 20 0 GAADLO O=C(CO)NCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001624672532 1076455855 /nfs/dbraw/zinc/45/58/55/1076455855.db2.gz JWFYPEDSBXTOMN-UHFFFAOYSA-N 1 2 399.473 -1.852 20 0 GAADLO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 ZINC001625153393 1076456896 /nfs/dbraw/zinc/45/68/96/1076456896.db2.gz AZHCUXZORBZYRG-LBPRGKRZSA-N 1 2 386.474 -1.768 20 0 GAADLO CC(C)[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001625443222 1076457680 /nfs/dbraw/zinc/45/76/80/1076457680.db2.gz JVAVSKZVQZSENE-ZDUSSCGKSA-N 1 2 390.510 -1.684 20 0 GAADLO COc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC001625443492 1076457767 /nfs/dbraw/zinc/45/77/67/1076457767.db2.gz VMWNOCRNMWNJIY-UHFFFAOYSA-N 1 2 386.478 -1.321 20 0 GAADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC001626980180 1076460931 /nfs/dbraw/zinc/46/09/31/1076460931.db2.gz BFMXPXDNVMSXGN-HNNXBMFYSA-N 1 2 384.477 -1.174 20 0 GAADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC001626980180 1076460927 /nfs/dbraw/zinc/46/09/27/1076460927.db2.gz BFMXPXDNVMSXGN-HNNXBMFYSA-N 1 2 384.477 -1.174 20 0 GAADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC001626980181 1076460941 /nfs/dbraw/zinc/46/09/41/1076460941.db2.gz BFMXPXDNVMSXGN-OAHLLOKOSA-N 1 2 384.477 -1.174 20 0 GAADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC001626980181 1076460938 /nfs/dbraw/zinc/46/09/38/1076460938.db2.gz BFMXPXDNVMSXGN-OAHLLOKOSA-N 1 2 384.477 -1.174 20 0 GAADLO O=C(NC[C@@]1(O)CCS(=O)(=O)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001627707156 1076463208 /nfs/dbraw/zinc/46/32/08/1076463208.db2.gz 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Cc1cc(C)n(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n1 ZINC001628646745 1076465658 /nfs/dbraw/zinc/46/56/58/1076465658.db2.gz JYRDNQRFFQHOIH-HNNXBMFYSA-N 1 2 377.445 -1.091 20 0 GAADLO Cc1cc(C)n(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n1 ZINC001628646746 1076465597 /nfs/dbraw/zinc/46/55/97/1076465597.db2.gz JYRDNQRFFQHOIH-OAHLLOKOSA-N 1 2 377.445 -1.091 20 0 GAADLO CC[C@H](O)Cn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC001628646750 1076465642 /nfs/dbraw/zinc/46/56/42/1076465642.db2.gz KGRHPICVXSLPQM-KBPBESRZSA-N 1 2 380.449 -1.288 20 0 GAADLO CC[C@H](O)Cn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC001628646751 1076465650 /nfs/dbraw/zinc/46/56/50/1076465650.db2.gz KGRHPICVXSLPQM-KGLIPLIRSA-N 1 2 380.449 -1.288 20 0 GAADLO CC[C@@H](O)Cn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC001628646752 1076465613 /nfs/dbraw/zinc/46/56/13/1076465613.db2.gz KGRHPICVXSLPQM-UONOGXRCSA-N 1 2 380.449 -1.288 20 0 GAADLO CC[C@@H](O)Cn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC001628646753 1076465633 /nfs/dbraw/zinc/46/56/33/1076465633.db2.gz KGRHPICVXSLPQM-ZIAGYGMSSA-N 1 2 380.449 -1.288 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001629589951 1076468411 /nfs/dbraw/zinc/46/84/11/1076468411.db2.gz AZHGIEMAKYAGAY-GBJTYRQASA-N 1 2 386.518 -1.228 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001629589951 1076468408 /nfs/dbraw/zinc/46/84/08/1076468408.db2.gz AZHGIEMAKYAGAY-GBJTYRQASA-N 1 2 386.518 -1.228 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001629589954 1076468459 /nfs/dbraw/zinc/46/84/59/1076468459.db2.gz AZHGIEMAKYAGAY-LJISPDSOSA-N 1 2 386.518 -1.228 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001629589954 1076468456 /nfs/dbraw/zinc/46/84/56/1076468456.db2.gz AZHGIEMAKYAGAY-LJISPDSOSA-N 1 2 386.518 -1.228 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001629589956 1076468378 /nfs/dbraw/zinc/46/83/78/1076468378.db2.gz AZHGIEMAKYAGAY-XGUBFFRZSA-N 1 2 386.518 -1.228 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001629589956 1076468374 /nfs/dbraw/zinc/46/83/74/1076468374.db2.gz AZHGIEMAKYAGAY-XGUBFFRZSA-N 1 2 386.518 -1.228 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001629589957 1076468304 /nfs/dbraw/zinc/46/83/04/1076468304.db2.gz AZHGIEMAKYAGAY-YJNKXOJESA-N 1 2 386.518 -1.228 20 0 GAADLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001629589957 1076468297 /nfs/dbraw/zinc/46/82/97/1076468297.db2.gz AZHGIEMAKYAGAY-YJNKXOJESA-N 1 2 386.518 -1.228 20 0 GAADLO Cc1nn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)o1 ZINC001629829891 1076469218 /nfs/dbraw/zinc/46/92/18/1076469218.db2.gz OQINWRTVFUEDGD-UHFFFAOYSA-N 1 2 388.450 -2.219 20 0 GAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C(F)(F)CO)nn1 ZINC001629835870 1076469240 /nfs/dbraw/zinc/46/92/40/1076469240.db2.gz QRKWUQFWYYGBCP-LLVKDONJSA-N 1 2 388.375 -1.517 20 0 GAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C(F)(F)CO)nn1 ZINC001629835871 1076469544 /nfs/dbraw/zinc/46/95/44/1076469544.db2.gz QRKWUQFWYYGBCP-NSHDSACASA-N 1 2 388.375 -1.517 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001629841630 1076469898 /nfs/dbraw/zinc/46/98/98/1076469898.db2.gz STZRQJLGYMENIP-CYBMUJFWSA-N 1 2 383.474 -1.292 20 0 GAADLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001629841631 1076469909 /nfs/dbraw/zinc/46/99/09/1076469909.db2.gz STZRQJLGYMENIP-ZDUSSCGKSA-N 1 2 383.474 -1.292 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC001629868752 1076469889 /nfs/dbraw/zinc/46/98/89/1076469889.db2.gz KEMHIHDXXCMVPP-UHFFFAOYSA-N 1 2 378.495 -1.293 20 0 GAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001629888705 1076470234 /nfs/dbraw/zinc/47/02/34/1076470234.db2.gz AJFBGORQURSTDV-DUYRLRNSSA-N 1 2 394.428 -1.041 20 0 GAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001629888706 1076470322 /nfs/dbraw/zinc/47/03/22/1076470322.db2.gz AJFBGORQURSTDV-OBFMZJQYSA-N 1 2 394.428 -1.041 20 0 GAADLO COC(=O)[C@H]1CCCN(CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1=O ZINC001629902976 1076470166 /nfs/dbraw/zinc/47/01/66/1076470166.db2.gz KLIHEYJWUHKTJH-AWEZNQCLSA-N 1 2 378.433 -1.166 20 0 GAADLO COC(=O)[C@@H]1CCCN(CC(=O)N2CC[NH+](CCn3cncn3)CC2)C1=O ZINC001629902982 1076470250 /nfs/dbraw/zinc/47/02/50/1076470250.db2.gz KLIHEYJWUHKTJH-CQSZACIVSA-N 1 2 378.433 -1.166 20 0 GAADLO CNS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001629961836 1076470652 /nfs/dbraw/zinc/47/06/52/1076470652.db2.gz BRSXODDBCGMYDP-UHFFFAOYSA-N 1 2 376.479 -1.272 20 0 GAADLO CNS(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001629961836 1076470651 /nfs/dbraw/zinc/47/06/51/1076470651.db2.gz BRSXODDBCGMYDP-UHFFFAOYSA-N 1 2 376.479 -1.272 20 0 GAADLO CN1CCn2nc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)cc2S1(=O)=O ZINC001629962057 1076470725 /nfs/dbraw/zinc/47/07/25/1076470725.db2.gz FPONDBUKQUGJCX-UHFFFAOYSA-N 1 2 385.446 -1.304 20 0 GAADLO CN1CCn2nc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)cc2S1(=O)=O ZINC001629962057 1076470720 /nfs/dbraw/zinc/47/07/20/1076470720.db2.gz FPONDBUKQUGJCX-UHFFFAOYSA-N 1 2 385.446 -1.304 20 0 GAADLO NC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(N)=O ZINC001630581250 1076472182 /nfs/dbraw/zinc/47/21/82/1076472182.db2.gz QPRUKUKBRSRIND-JHJVBQTASA-N 1 2 381.433 -2.788 20 0 GAADLO NC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(N)=O ZINC001630581251 1076472596 /nfs/dbraw/zinc/47/25/96/1076472596.db2.gz QPRUKUKBRSRIND-RWMBFGLXSA-N 1 2 381.433 -2.788 20 0 GAADLO NC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(N)=O ZINC001630581252 1076472621 /nfs/dbraw/zinc/47/26/21/1076472621.db2.gz QPRUKUKBRSRIND-UPJWGTAASA-N 1 2 381.433 -2.788 20 0 GAADLO NC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(N)=O ZINC001630581253 1076472665 /nfs/dbraw/zinc/47/26/65/1076472665.db2.gz QPRUKUKBRSRIND-YNEHKIRRSA-N 1 2 381.433 -2.788 20 0 GAADLO CCc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cnc2c1c(=O)n(C)c(=O)n2C ZINC001630707147 1076472930 /nfs/dbraw/zinc/47/29/30/1076472930.db2.gz IFPVXYFDBUEMBN-LLVKDONJSA-N 1 2 375.429 -1.057 20 0 GAADLO CCc1c(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cnc2c1c(=O)n(C)c(=O)n2C ZINC001630707147 1076472928 /nfs/dbraw/zinc/47/29/28/1076472928.db2.gz IFPVXYFDBUEMBN-LLVKDONJSA-N 1 2 375.429 -1.057 20 0 GAADLO CCc1c(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cnc2c1c(=O)n(C)c(=O)n2C ZINC001630707148 1076472947 /nfs/dbraw/zinc/47/29/47/1076472947.db2.gz IFPVXYFDBUEMBN-NSHDSACASA-N 1 2 375.429 -1.057 20 0 GAADLO CCc1c(C(=O)N2CC[N@H+](C)C[C@H]2CO)cnc2c1c(=O)n(C)c(=O)n2C ZINC001630707148 1076472946 /nfs/dbraw/zinc/47/29/46/1076472946.db2.gz IFPVXYFDBUEMBN-NSHDSACASA-N 1 2 375.429 -1.057 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001630739946 1076472949 /nfs/dbraw/zinc/47/29/49/1076472949.db2.gz OVBZPSPYBWDKPH-GFCCVEGCSA-N 1 2 387.462 -1.718 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001630739947 1076472941 /nfs/dbraw/zinc/47/29/41/1076472941.db2.gz OVBZPSPYBWDKPH-LBPRGKRZSA-N 1 2 387.462 -1.718 20 0 GAADLO O=C(N[C@@H](CO)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1cccc(F)n1 ZINC001630926443 1076473380 /nfs/dbraw/zinc/47/33/80/1076473380.db2.gz VOICYMADGSSACY-HIFRSBDPSA-N 1 2 396.419 -1.129 20 0 GAADLO O=C(N[C@@H](CO)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1cccc(F)n1 ZINC001630926444 1076473422 /nfs/dbraw/zinc/47/34/22/1076473422.db2.gz VOICYMADGSSACY-ZFWWWQNUSA-N 1 2 396.419 -1.129 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC001631208029 1076474506 /nfs/dbraw/zinc/47/45/06/1076474506.db2.gz LCOJLVGYCNFBMG-GFCCVEGCSA-N 1 2 396.535 -1.185 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC001631208035 1076474486 /nfs/dbraw/zinc/47/44/86/1076474486.db2.gz LCOJLVGYCNFBMG-LBPRGKRZSA-N 1 2 396.535 -1.185 20 0 GAADLO Cn1cc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cn1 ZINC001631262136 1076474877 /nfs/dbraw/zinc/47/48/77/1076474877.db2.gz RMZAJUJKXHAITF-CYBMUJFWSA-N 1 2 385.446 -1.406 20 0 GAADLO Cn1cc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cn1 ZINC001631262137 1076474869 /nfs/dbraw/zinc/47/48/69/1076474869.db2.gz RMZAJUJKXHAITF-ZDUSSCGKSA-N 1 2 385.446 -1.406 20 0 GAADLO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001631449908 1076475613 /nfs/dbraw/zinc/47/56/13/1076475613.db2.gz RSPJPFZZGQPLTG-BNOWGMLFSA-N 1 2 381.458 -1.082 20 0 GAADLO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001631449909 1076475580 /nfs/dbraw/zinc/47/55/80/1076475580.db2.gz RSPJPFZZGQPLTG-KWCYVHTRSA-N 1 2 381.458 -1.082 20 0 GAADLO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001631449910 1076475644 /nfs/dbraw/zinc/47/56/44/1076475644.db2.gz RSPJPFZZGQPLTG-MRVWCRGKSA-N 1 2 381.458 -1.082 20 0 GAADLO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001631449911 1076475589 /nfs/dbraw/zinc/47/55/89/1076475589.db2.gz RSPJPFZZGQPLTG-XBFCOCLRSA-N 1 2 381.458 -1.082 20 0 GAADLO CCc1c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001631924275 1076477321 /nfs/dbraw/zinc/47/73/21/1076477321.db2.gz HKYFJWOQZYEXKY-LLVKDONJSA-N 1 2 375.429 -1.057 20 0 GAADLO CCc1c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001631924275 1076477318 /nfs/dbraw/zinc/47/73/18/1076477318.db2.gz HKYFJWOQZYEXKY-LLVKDONJSA-N 1 2 375.429 -1.057 20 0 GAADLO CCc1c(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001631924276 1076477199 /nfs/dbraw/zinc/47/71/99/1076477199.db2.gz HKYFJWOQZYEXKY-NSHDSACASA-N 1 2 375.429 -1.057 20 0 GAADLO CCc1c(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001631924276 1076477194 /nfs/dbraw/zinc/47/71/94/1076477194.db2.gz HKYFJWOQZYEXKY-NSHDSACASA-N 1 2 375.429 -1.057 20 0 GAADLO C[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@@H]1CO ZINC001631924773 1076477312 /nfs/dbraw/zinc/47/73/12/1076477312.db2.gz NCQRPYUDXBTFQU-CYBMUJFWSA-N 1 2 398.485 -1.081 20 0 GAADLO C[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@@H]1CO ZINC001631924773 1076477309 /nfs/dbraw/zinc/47/73/09/1076477309.db2.gz NCQRPYUDXBTFQU-CYBMUJFWSA-N 1 2 398.485 -1.081 20 0 GAADLO C[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@H]1CO ZINC001631924774 1076477214 /nfs/dbraw/zinc/47/72/14/1076477214.db2.gz NCQRPYUDXBTFQU-ZDUSSCGKSA-N 1 2 398.485 -1.081 20 0 GAADLO C[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@H]1CO ZINC001631924774 1076477208 /nfs/dbraw/zinc/47/72/08/1076477208.db2.gz NCQRPYUDXBTFQU-ZDUSSCGKSA-N 1 2 398.485 -1.081 20 0 GAADLO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC001632438846 1076478737 /nfs/dbraw/zinc/47/87/37/1076478737.db2.gz GIMOQSXVVXJSFP-AWEZNQCLSA-N 1 2 388.490 -1.540 20 0 GAADLO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC001632438847 1076478681 /nfs/dbraw/zinc/47/86/81/1076478681.db2.gz GIMOQSXVVXJSFP-CQSZACIVSA-N 1 2 388.490 -1.540 20 0 GAADLO CN(C)S(=O)(=O)N(C)CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001632858022 1076480256 /nfs/dbraw/zinc/48/02/56/1076480256.db2.gz KRBTVAMODCUIFT-UHFFFAOYSA-N 1 2 384.524 -1.650 20 0 GAADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001632963410 1076481370 /nfs/dbraw/zinc/48/13/70/1076481370.db2.gz KPCYWGOWBAVYCU-AWEZNQCLSA-N 1 2 393.419 -1.181 20 0 GAADLO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001632963410 1076481368 /nfs/dbraw/zinc/48/13/68/1076481368.db2.gz KPCYWGOWBAVYCU-AWEZNQCLSA-N 1 2 393.419 -1.181 20 0 GAADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001632963411 1076481405 /nfs/dbraw/zinc/48/14/05/1076481405.db2.gz KPCYWGOWBAVYCU-CQSZACIVSA-N 1 2 393.419 -1.181 20 0 GAADLO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001632963411 1076481403 /nfs/dbraw/zinc/48/14/03/1076481403.db2.gz KPCYWGOWBAVYCU-CQSZACIVSA-N 1 2 393.419 -1.181 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2=O)cn1 ZINC001632964078 1076481376 /nfs/dbraw/zinc/48/13/76/1076481376.db2.gz XTYQZTVNOWRZGR-AWEZNQCLSA-N 1 2 392.460 -1.098 20 0 GAADLO COCCn1cc(N2C[C@@H](C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2=O)cn1 ZINC001632964078 1076481374 /nfs/dbraw/zinc/48/13/74/1076481374.db2.gz XTYQZTVNOWRZGR-AWEZNQCLSA-N 1 2 392.460 -1.098 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2=O)cn1 ZINC001632964079 1076481396 /nfs/dbraw/zinc/48/13/96/1076481396.db2.gz XTYQZTVNOWRZGR-CQSZACIVSA-N 1 2 392.460 -1.098 20 0 GAADLO COCCn1cc(N2C[C@H](C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2=O)cn1 ZINC001632964079 1076481394 /nfs/dbraw/zinc/48/13/94/1076481394.db2.gz XTYQZTVNOWRZGR-CQSZACIVSA-N 1 2 392.460 -1.098 20 0 GAADLO O=C(N[C@@H](CO)C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1cccc(F)n1 ZINC001633488765 1076483062 /nfs/dbraw/zinc/48/30/62/1076483062.db2.gz NKWNOJWBSZHFJL-ZDUSSCGKSA-N 1 2 382.392 -1.124 20 0 GAADLO O=C(N[C@@H](CO)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1cccc(F)n1 ZINC001633488765 1076483061 /nfs/dbraw/zinc/48/30/61/1076483061.db2.gz NKWNOJWBSZHFJL-ZDUSSCGKSA-N 1 2 382.392 -1.124 20 0 GAADLO CN(CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)CCS(C)(=O)=O ZINC001633637133 1076483539 /nfs/dbraw/zinc/48/35/39/1076483539.db2.gz ODFMZBDADTZJND-CABCVRRESA-N 1 2 377.507 -1.041 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@@H](CO)C1 ZINC001634202333 1076485617 /nfs/dbraw/zinc/48/56/17/1076485617.db2.gz JGVAJJKZHVNNAK-CABCVRRESA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@@H](CO)C1 ZINC001634202333 1076485613 /nfs/dbraw/zinc/48/56/13/1076485613.db2.gz JGVAJJKZHVNNAK-CABCVRRESA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@H](CO)C1 ZINC001634202334 1076485571 /nfs/dbraw/zinc/48/55/71/1076485571.db2.gz JGVAJJKZHVNNAK-GJZGRUSLSA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@H](CO)C1 ZINC001634202334 1076485566 /nfs/dbraw/zinc/48/55/66/1076485566.db2.gz JGVAJJKZHVNNAK-GJZGRUSLSA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@@H](CO)C1 ZINC001634202335 1076485540 /nfs/dbraw/zinc/48/55/40/1076485540.db2.gz JGVAJJKZHVNNAK-HUUCEWRRSA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@@H](CO)C1 ZINC001634202335 1076485538 /nfs/dbraw/zinc/48/55/38/1076485538.db2.gz JGVAJJKZHVNNAK-HUUCEWRRSA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@H](CO)C1 ZINC001634202336 1076485584 /nfs/dbraw/zinc/48/55/84/1076485584.db2.gz JGVAJJKZHVNNAK-LSDHHAIUSA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@@H+]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)[C@H](CO)C1 ZINC001634202336 1076485581 /nfs/dbraw/zinc/48/55/81/1076485581.db2.gz JGVAJJKZHVNNAK-LSDHHAIUSA-N 1 2 380.420 -1.137 20 0 GAADLO C[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@H](CO)C1 ZINC001634202387 1076485674 /nfs/dbraw/zinc/48/56/74/1076485674.db2.gz KVPPDUUUVCJOHL-AWEZNQCLSA-N 1 2 396.469 -1.444 20 0 GAADLO C[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@H](CO)C1 ZINC001634202387 1076485668 /nfs/dbraw/zinc/48/56/68/1076485668.db2.gz KVPPDUUUVCJOHL-AWEZNQCLSA-N 1 2 396.469 -1.444 20 0 GAADLO C[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@@H](CO)C1 ZINC001634202388 1076485743 /nfs/dbraw/zinc/48/57/43/1076485743.db2.gz KVPPDUUUVCJOHL-CQSZACIVSA-N 1 2 396.469 -1.444 20 0 GAADLO C[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@@H](CO)C1 ZINC001634202388 1076485740 /nfs/dbraw/zinc/48/57/40/1076485740.db2.gz KVPPDUUUVCJOHL-CQSZACIVSA-N 1 2 396.469 -1.444 20 0 GAADLO COC(=O)c1ccn(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001634301777 1076486170 /nfs/dbraw/zinc/48/61/70/1076486170.db2.gz GEPFWRZGZNDHSW-CYBMUJFWSA-N 1 2 379.417 -1.281 20 0 GAADLO COC(=O)c1ccn(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001634301778 1076486218 /nfs/dbraw/zinc/48/62/18/1076486218.db2.gz GEPFWRZGZNDHSW-ZDUSSCGKSA-N 1 2 379.417 -1.281 20 0 GAADLO NC(=O)c1cn(CCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001634427262 1076486837 /nfs/dbraw/zinc/48/68/37/1076486837.db2.gz FNLRYWZDGCSBOK-GFCCVEGCSA-N 1 2 395.416 -2.003 20 0 GAADLO NC(=O)c1cn(CCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001634427263 1076487205 /nfs/dbraw/zinc/48/72/05/1076487205.db2.gz FNLRYWZDGCSBOK-LBPRGKRZSA-N 1 2 395.416 -2.003 20 0 GAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001634579406 1076487548 /nfs/dbraw/zinc/48/75/48/1076487548.db2.gz XEGFRGSMWFRXFR-INIZCTEOSA-N 1 2 390.506 -1.207 20 0 GAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001634579406 1076487544 /nfs/dbraw/zinc/48/75/44/1076487544.db2.gz XEGFRGSMWFRXFR-INIZCTEOSA-N 1 2 390.506 -1.207 20 0 GAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001634579407 1076487897 /nfs/dbraw/zinc/48/78/97/1076487897.db2.gz XEGFRGSMWFRXFR-MRXNPFEDSA-N 1 2 390.506 -1.207 20 0 GAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC001634579407 1076487892 /nfs/dbraw/zinc/48/78/92/1076487892.db2.gz XEGFRGSMWFRXFR-MRXNPFEDSA-N 1 2 390.506 -1.207 20 0 GAADLO NS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001635286404 1076490720 /nfs/dbraw/zinc/49/07/20/1076490720.db2.gz BKYXNLKSIQRGKY-KGLIPLIRSA-N 1 2 376.479 -1.350 20 0 GAADLO CNC(=O)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001635344443 1076490874 /nfs/dbraw/zinc/49/08/74/1076490874.db2.gz VOLIJDZCUXOWAD-CYBMUJFWSA-N 1 2 390.510 -1.670 20 0 GAADLO CNC(=O)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001635344444 1076490847 /nfs/dbraw/zinc/49/08/47/1076490847.db2.gz VOLIJDZCUXOWAD-ZDUSSCGKSA-N 1 2 390.510 -1.670 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC001635379118 1076491357 /nfs/dbraw/zinc/49/13/57/1076491357.db2.gz YLNRCDGTUYQTBW-ZDUSSCGKSA-N 1 2 381.408 -1.408 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC001635379118 1076491355 /nfs/dbraw/zinc/49/13/55/1076491355.db2.gz YLNRCDGTUYQTBW-ZDUSSCGKSA-N 1 2 381.408 -1.408 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001635379133 1076491389 /nfs/dbraw/zinc/49/13/89/1076491389.db2.gz ZJGSHJGJXOYRHP-UHFFFAOYSA-N 1 2 384.458 -1.007 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001635379133 1076491388 /nfs/dbraw/zinc/49/13/88/1076491388.db2.gz ZJGSHJGJXOYRHP-UHFFFAOYSA-N 1 2 384.458 -1.007 20 0 GAADLO CC(C)(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CS(N)(=O)=O ZINC001635756838 1076492959 /nfs/dbraw/zinc/49/29/59/1076492959.db2.gz CLXNSBCXFYUZML-CYBMUJFWSA-N 1 2 390.506 -1.402 20 0 GAADLO CC(C)(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CS(N)(=O)=O ZINC001635756839 1076492911 /nfs/dbraw/zinc/49/29/11/1076492911.db2.gz CLXNSBCXFYUZML-ZDUSSCGKSA-N 1 2 390.506 -1.402 20 0 GAADLO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001636191369 1076494791 /nfs/dbraw/zinc/49/47/91/1076494791.db2.gz WHBRURNCKQQOQI-CABCVRRESA-N 1 2 381.454 -1.565 20 0 GAADLO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001636191369 1076494788 /nfs/dbraw/zinc/49/47/88/1076494788.db2.gz WHBRURNCKQQOQI-CABCVRRESA-N 1 2 381.454 -1.565 20 0 GAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001636290569 1076495090 /nfs/dbraw/zinc/49/50/90/1076495090.db2.gz GSHRBJQAASWRBF-NEPJUHHUSA-N 1 2 379.417 -1.241 20 0 GAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001636290570 1076495177 /nfs/dbraw/zinc/49/51/77/1076495177.db2.gz GSHRBJQAASWRBF-NWDGAFQWSA-N 1 2 379.417 -1.241 20 0 GAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001636290571 1076495152 /nfs/dbraw/zinc/49/51/52/1076495152.db2.gz GSHRBJQAASWRBF-RYUDHWBXSA-N 1 2 379.417 -1.241 20 0 GAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001636290572 1076495196 /nfs/dbraw/zinc/49/51/96/1076495196.db2.gz GSHRBJQAASWRBF-VXGBXAGGSA-N 1 2 379.417 -1.241 20 0 GAADLO NS(=O)(=O)c1cnn(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC001636359258 1076495486 /nfs/dbraw/zinc/49/54/86/1076495486.db2.gz KONNSGILCQLCPH-UHFFFAOYSA-N 1 2 379.446 -1.293 20 0 GAADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001636368544 1076495852 /nfs/dbraw/zinc/49/58/52/1076495852.db2.gz OWKKRQAPZFHNHO-UHFFFAOYSA-N 1 2 383.474 -1.439 20 0 GAADLO NS(=O)(=O)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001636508218 1076496847 /nfs/dbraw/zinc/49/68/47/1076496847.db2.gz QXERZEJOHPVBNP-KBPBESRZSA-N 1 2 388.490 -1.696 20 0 GAADLO NS(=O)(=O)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001636508219 1076496804 /nfs/dbraw/zinc/49/68/04/1076496804.db2.gz QXERZEJOHPVBNP-KGLIPLIRSA-N 1 2 388.490 -1.696 20 0 GAADLO NS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001636508220 1076496758 /nfs/dbraw/zinc/49/67/58/1076496758.db2.gz QXERZEJOHPVBNP-UONOGXRCSA-N 1 2 388.490 -1.696 20 0 GAADLO NS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001636508221 1076496772 /nfs/dbraw/zinc/49/67/72/1076496772.db2.gz QXERZEJOHPVBNP-ZIAGYGMSSA-N 1 2 388.490 -1.696 20 0 GAADLO NC(=O)CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC001636867299 1076498367 /nfs/dbraw/zinc/49/83/67/1076498367.db2.gz NSIWIJCMTRSZMV-AWEZNQCLSA-N 1 2 382.461 -1.340 20 0 GAADLO NC(=O)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC001636867304 1076498401 /nfs/dbraw/zinc/49/84/01/1076498401.db2.gz NSIWIJCMTRSZMV-CQSZACIVSA-N 1 2 382.461 -1.340 20 0 GAADLO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cn1C ZINC001636992558 1076499054 /nfs/dbraw/zinc/49/90/54/1076499054.db2.gz JOCFICXUOYITHU-CYBMUJFWSA-N 1 2 399.473 -1.097 20 0 GAADLO Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cn1C ZINC001636992559 1076499012 /nfs/dbraw/zinc/49/90/12/1076499012.db2.gz JOCFICXUOYITHU-ZDUSSCGKSA-N 1 2 399.473 -1.097 20 0 GAADLO COCCCS(=O)(=O)NCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001636992864 1076499040 /nfs/dbraw/zinc/49/90/40/1076499040.db2.gz OOIAUOZBEYNQFD-CYBMUJFWSA-N 1 2 377.463 -1.162 20 0 GAADLO COCCCS(=O)(=O)NCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001636992865 1076499097 /nfs/dbraw/zinc/49/90/97/1076499097.db2.gz OOIAUOZBEYNQFD-ZDUSSCGKSA-N 1 2 377.463 -1.162 20 0 GAADLO Cn1cnc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001636993234 1076498959 /nfs/dbraw/zinc/49/89/59/1076498959.db2.gz WMJPDAABWWTVCS-GFCCVEGCSA-N 1 2 385.446 -1.406 20 0 GAADLO Cn1cnc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001636993235 1076498967 /nfs/dbraw/zinc/49/89/67/1076498967.db2.gz WMJPDAABWWTVCS-LBPRGKRZSA-N 1 2 385.446 -1.406 20 0 GAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001637057783 1076499031 /nfs/dbraw/zinc/49/90/31/1076499031.db2.gz KMQCIKQKLHXQGF-LBPRGKRZSA-N 1 2 378.414 -1.319 20 0 GAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001637057783 1076499029 /nfs/dbraw/zinc/49/90/29/1076499029.db2.gz KMQCIKQKLHXQGF-LBPRGKRZSA-N 1 2 378.414 -1.319 20 0 GAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001637370638 1076500503 /nfs/dbraw/zinc/50/05/03/1076500503.db2.gz VPCXPPRXYFOQSI-CYBMUJFWSA-N 1 2 380.449 -1.196 20 0 GAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001637370638 1076500499 /nfs/dbraw/zinc/50/04/99/1076500499.db2.gz VPCXPPRXYFOQSI-CYBMUJFWSA-N 1 2 380.449 -1.196 20 0 GAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001637370651 1076500415 /nfs/dbraw/zinc/50/04/15/1076500415.db2.gz VPCXPPRXYFOQSI-ZDUSSCGKSA-N 1 2 380.449 -1.196 20 0 GAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001637370651 1076500410 /nfs/dbraw/zinc/50/04/10/1076500410.db2.gz VPCXPPRXYFOQSI-ZDUSSCGKSA-N 1 2 380.449 -1.196 20 0 GAADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc[nH+]1 ZINC001637583754 1076502219 /nfs/dbraw/zinc/50/22/19/1076502219.db2.gz RTCNCRYYHMUEMT-TUAOUCFPSA-N 1 2 383.430 -1.616 20 0 GAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001637902286 1076503934 /nfs/dbraw/zinc/50/39/34/1076503934.db2.gz UVDXIUPJEVGKJA-NSHDSACASA-N 1 2 382.402 -1.246 20 0 GAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001637902286 1076503932 /nfs/dbraw/zinc/50/39/32/1076503932.db2.gz UVDXIUPJEVGKJA-NSHDSACASA-N 1 2 382.402 -1.246 20 0 GAADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001637902323 1076503836 /nfs/dbraw/zinc/50/38/36/1076503836.db2.gz VRSWKFVJGPIVLJ-NSHDSACASA-N 1 2 382.402 -1.246 20 0 GAADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001637902323 1076503834 /nfs/dbraw/zinc/50/38/34/1076503834.db2.gz VRSWKFVJGPIVLJ-NSHDSACASA-N 1 2 382.402 -1.246 20 0 GAADLO COCC(COC)[NH+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC001637965689 1076504123 /nfs/dbraw/zinc/50/41/23/1076504123.db2.gz JAYFTASETCLZLI-UHFFFAOYSA-N 1 2 375.451 -1.664 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001638058960 1076504837 /nfs/dbraw/zinc/50/48/37/1076504837.db2.gz VSOWCNYEBWYBAO-UHFFFAOYSA-N 1 2 398.489 -1.247 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001638058960 1076504832 /nfs/dbraw/zinc/50/48/32/1076504832.db2.gz VSOWCNYEBWYBAO-UHFFFAOYSA-N 1 2 398.489 -1.247 20 0 GAADLO O=C(NCCc1nnc2n1CCNC2=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001638229587 1076505345 /nfs/dbraw/zinc/50/53/45/1076505345.db2.gz DYVMGEZCOFJIEQ-OLZOCXBDSA-N 1 2 378.433 -1.440 20 0 GAADLO C/C(=C\C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)C[NH+]1CCOCC1 ZINC001638319425 1076506726 /nfs/dbraw/zinc/50/67/26/1076506726.db2.gz WCFKYFCCYVOQQD-JLHYYAGUSA-N 1 2 384.462 -1.084 20 0 GAADLO C/C(=C/C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)C[NH+]1CCOCC1 ZINC001638319426 1076506741 /nfs/dbraw/zinc/50/67/41/1076506741.db2.gz WCFKYFCCYVOQQD-RAXLEYEMSA-N 1 2 384.462 -1.084 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001638675156 1076508080 /nfs/dbraw/zinc/50/80/80/1076508080.db2.gz KVIHELUXEPSMTM-AWEZNQCLSA-N 1 2 378.495 -1.254 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC001638675157 1076508013 /nfs/dbraw/zinc/50/80/13/1076508013.db2.gz KVIHELUXEPSMTM-CQSZACIVSA-N 1 2 378.495 -1.254 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC001638873233 1076508596 /nfs/dbraw/zinc/50/85/96/1076508596.db2.gz CMFAXGLWNQLFKG-UHFFFAOYSA-N 1 2 377.445 -1.005 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC001638873233 1076508592 /nfs/dbraw/zinc/50/85/92/1076508592.db2.gz CMFAXGLWNQLFKG-UHFFFAOYSA-N 1 2 377.445 -1.005 20 0 GAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001639384769 1076509978 /nfs/dbraw/zinc/50/99/78/1076509978.db2.gz UVDXIUPJEVGKJA-LLVKDONJSA-N 1 2 382.402 -1.246 20 0 GAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC001639384769 1076509972 /nfs/dbraw/zinc/50/99/72/1076509972.db2.gz UVDXIUPJEVGKJA-LLVKDONJSA-N 1 2 382.402 -1.246 20 0 GAADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cn1 ZINC001640391647 1076511989 /nfs/dbraw/zinc/51/19/89/1076511989.db2.gz QYKATFGJYALFEE-ZDUSSCGKSA-N 1 2 380.430 -1.441 20 0 GAADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc[nH+]1 ZINC001640459471 1076512238 /nfs/dbraw/zinc/51/22/38/1076512238.db2.gz JRZYMBLUQXDLCI-WDEREUQCSA-N 1 2 376.373 -1.109 20 0 GAADLO CN1CCn2ncc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)c2S1(=O)=O ZINC001640987909 1076513583 /nfs/dbraw/zinc/51/35/83/1076513583.db2.gz QAGQWIIHRNLWEU-UHFFFAOYSA-N 1 2 385.446 -1.304 20 0 GAADLO CN1CCn2ncc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)c2S1(=O)=O ZINC001640987909 1076513580 /nfs/dbraw/zinc/51/35/80/1076513580.db2.gz QAGQWIIHRNLWEU-UHFFFAOYSA-N 1 2 385.446 -1.304 20 0 GAADLO NS(=O)(=O)CCN1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001642180285 1076515734 /nfs/dbraw/zinc/51/57/34/1076515734.db2.gz OSMVWPOEYAETGY-CYBMUJFWSA-N 1 2 396.469 -1.450 20 0 GAADLO O=C(N[C@H](CO)[C@H](O)c1cccnc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001642580298 1076516884 /nfs/dbraw/zinc/51/68/84/1076516884.db2.gz UINVVXWTTOGHOF-JFIYKMOQSA-N 1 2 392.456 -1.227 20 0 GAADLO O=C(N[C@H](CO)[C@@H](O)c1cccnc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001642580303 1076516841 /nfs/dbraw/zinc/51/68/41/1076516841.db2.gz UINVVXWTTOGHOF-JZXOWHBKSA-N 1 2 392.456 -1.227 20 0 GAADLO O=C(N[C@H](CO)[C@H](O)c1cccnc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001642580305 1076516864 /nfs/dbraw/zinc/51/68/64/1076516864.db2.gz UINVVXWTTOGHOF-LZLYRXPVSA-N 1 2 392.456 -1.227 20 0 GAADLO O=C(N[C@H](CO)[C@@H](O)c1cccnc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001642580307 1076516871 /nfs/dbraw/zinc/51/68/71/1076516871.db2.gz UINVVXWTTOGHOF-NUJGCVRESA-N 1 2 392.456 -1.227 20 0 GAADLO NS(=O)(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001642822194 1076517752 /nfs/dbraw/zinc/51/77/52/1076517752.db2.gz YHVBHQZPCOICAE-LLVKDONJSA-N 1 2 375.451 -2.829 20 0 GAADLO NS(=O)(=O)NC1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001642822209 1076517708 /nfs/dbraw/zinc/51/77/08/1076517708.db2.gz YHVBHQZPCOICAE-NSHDSACASA-N 1 2 375.451 -2.829 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001642937655 1076518187 /nfs/dbraw/zinc/51/81/87/1076518187.db2.gz ASXOZPFHDHSFEH-HNNXBMFYSA-N 1 2 387.462 -1.799 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC001642937655 1076518183 /nfs/dbraw/zinc/51/81/83/1076518183.db2.gz ASXOZPFHDHSFEH-HNNXBMFYSA-N 1 2 387.462 -1.799 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001642937656 1076518135 /nfs/dbraw/zinc/51/81/35/1076518135.db2.gz ASXOZPFHDHSFEH-OAHLLOKOSA-N 1 2 387.462 -1.799 20 0 GAADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC001642937656 1076518132 /nfs/dbraw/zinc/51/81/32/1076518132.db2.gz ASXOZPFHDHSFEH-OAHLLOKOSA-N 1 2 387.462 -1.799 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001643080806 1076518765 /nfs/dbraw/zinc/51/87/65/1076518765.db2.gz SPKUVBLMZUXTJY-KLHDSHLOSA-N 1 2 387.444 -1.183 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001643080807 1076518677 /nfs/dbraw/zinc/51/86/77/1076518677.db2.gz SPKUVBLMZUXTJY-ZJIFWQFVSA-N 1 2 387.444 -1.183 20 0 GAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001643092767 1076518740 /nfs/dbraw/zinc/51/87/40/1076518740.db2.gz JYPXDQFQDFBVNV-CYBMUJFWSA-N 1 2 386.478 -1.283 20 0 GAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001643092768 1076518702 /nfs/dbraw/zinc/51/87/02/1076518702.db2.gz JYPXDQFQDFBVNV-ZDUSSCGKSA-N 1 2 386.478 -1.283 20 0 GAADLO CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001643395253 1076519715 /nfs/dbraw/zinc/51/97/15/1076519715.db2.gz QLKBMMZQDHYYQB-CYBMUJFWSA-N 1 2 393.444 -1.234 20 0 GAADLO CCn1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001643395254 1076519635 /nfs/dbraw/zinc/51/96/35/1076519635.db2.gz QLKBMMZQDHYYQB-ZDUSSCGKSA-N 1 2 393.444 -1.234 20 0 GAADLO Cn1nccc1C1(O)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001643411809 1076519659 /nfs/dbraw/zinc/51/96/59/1076519659.db2.gz QEEKFNOTMFRTSY-AWEZNQCLSA-N 1 2 377.445 -1.369 20 0 GAADLO Cn1nccc1C1(O)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001643411810 1076519691 /nfs/dbraw/zinc/51/96/91/1076519691.db2.gz QEEKFNOTMFRTSY-CQSZACIVSA-N 1 2 377.445 -1.369 20 0 GAADLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001643492538 1076519967 /nfs/dbraw/zinc/51/99/67/1076519967.db2.gz VWKLCPRJMIEZFV-AWEZNQCLSA-N 1 2 390.444 -1.121 20 0 GAADLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001643492538 1076519962 /nfs/dbraw/zinc/51/99/62/1076519962.db2.gz VWKLCPRJMIEZFV-AWEZNQCLSA-N 1 2 390.444 -1.121 20 0 GAADLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001643492550 1076520095 /nfs/dbraw/zinc/52/00/95/1076520095.db2.gz VWKLCPRJMIEZFV-CQSZACIVSA-N 1 2 390.444 -1.121 20 0 GAADLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2cnccn2)CC1 ZINC001643492550 1076520090 /nfs/dbraw/zinc/52/00/90/1076520090.db2.gz VWKLCPRJMIEZFV-CQSZACIVSA-N 1 2 390.444 -1.121 20 0 GAADLO O=C(NCc1nnc2n1CCNC2=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001643669414 1076520365 /nfs/dbraw/zinc/52/03/65/1076520365.db2.gz UHUPANWQJAAKAC-GFCCVEGCSA-N 1 2 391.432 -2.182 20 0 GAADLO O=C(NCc1nnc2n1CCNC2=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001643669417 1076520374 /nfs/dbraw/zinc/52/03/74/1076520374.db2.gz UHUPANWQJAAKAC-LBPRGKRZSA-N 1 2 391.432 -2.182 20 0 GAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC001643824348 1076520915 /nfs/dbraw/zinc/52/09/15/1076520915.db2.gz ZSLUAMWIQPXKPY-ZDUSSCGKSA-N 1 2 380.430 -1.101 20 0 GAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC001643824348 1076520908 /nfs/dbraw/zinc/52/09/08/1076520908.db2.gz ZSLUAMWIQPXKPY-ZDUSSCGKSA-N 1 2 380.430 -1.101 20 0 GAADLO CN1CCn2c(CCNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)nnc2C1=O ZINC001643929963 1076521353 /nfs/dbraw/zinc/52/13/53/1076521353.db2.gz IWKDVRLNSSIULB-KGLIPLIRSA-N 1 2 392.460 -1.098 20 0 GAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001644067270 1076521687 /nfs/dbraw/zinc/52/16/87/1076521687.db2.gz WTBFQFNEWDZZPL-CYBMUJFWSA-N 1 2 383.449 -2.512 20 0 GAADLO CNC(=O)CN(CC(=O)NC)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001644067271 1076521733 /nfs/dbraw/zinc/52/17/33/1076521733.db2.gz WTBFQFNEWDZZPL-ZDUSSCGKSA-N 1 2 383.449 -2.512 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001644633070 1076523601 /nfs/dbraw/zinc/52/36/01/1076523601.db2.gz NYAWLEDAHTXDKA-KBPBESRZSA-N 1 2 395.441 -1.302 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001644633070 1076523597 /nfs/dbraw/zinc/52/35/97/1076523597.db2.gz NYAWLEDAHTXDKA-KBPBESRZSA-N 1 2 395.441 -1.302 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001644633071 1076523582 /nfs/dbraw/zinc/52/35/82/1076523582.db2.gz NYAWLEDAHTXDKA-KGLIPLIRSA-N 1 2 395.441 -1.302 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001644633071 1076523578 /nfs/dbraw/zinc/52/35/78/1076523578.db2.gz NYAWLEDAHTXDKA-KGLIPLIRSA-N 1 2 395.441 -1.302 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001644633072 1076523482 /nfs/dbraw/zinc/52/34/82/1076523482.db2.gz NYAWLEDAHTXDKA-UONOGXRCSA-N 1 2 395.441 -1.302 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001644633072 1076523480 /nfs/dbraw/zinc/52/34/80/1076523480.db2.gz NYAWLEDAHTXDKA-UONOGXRCSA-N 1 2 395.441 -1.302 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001644633073 1076523568 /nfs/dbraw/zinc/52/35/68/1076523568.db2.gz NYAWLEDAHTXDKA-ZIAGYGMSSA-N 1 2 395.441 -1.302 20 0 GAADLO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001644633073 1076523564 /nfs/dbraw/zinc/52/35/64/1076523564.db2.gz NYAWLEDAHTXDKA-ZIAGYGMSSA-N 1 2 395.441 -1.302 20 0 GAADLO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676676 1076523555 /nfs/dbraw/zinc/52/35/55/1076523555.db2.gz JFCDLMQELROXKG-IBGZPJMESA-N 1 2 392.456 -1.454 20 0 GAADLO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676676 1076523551 /nfs/dbraw/zinc/52/35/51/1076523551.db2.gz JFCDLMQELROXKG-IBGZPJMESA-N 1 2 392.456 -1.454 20 0 GAADLO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676677 1076523837 /nfs/dbraw/zinc/52/38/37/1076523837.db2.gz JFCDLMQELROXKG-LJQANCHMSA-N 1 2 392.456 -1.454 20 0 GAADLO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676677 1076523834 /nfs/dbraw/zinc/52/38/34/1076523834.db2.gz JFCDLMQELROXKG-LJQANCHMSA-N 1 2 392.456 -1.454 20 0 GAADLO CN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC001644766532 1076524060 /nfs/dbraw/zinc/52/40/60/1076524060.db2.gz CYJNZSFVRWRKKA-HNNXBMFYSA-N 1 2 392.522 -1.849 20 0 GAADLO CN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC001644766533 1076524000 /nfs/dbraw/zinc/52/40/00/1076524000.db2.gz CYJNZSFVRWRKKA-OAHLLOKOSA-N 1 2 392.522 -1.849 20 0 GAADLO CNC(=O)C1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001644839375 1076524700 /nfs/dbraw/zinc/52/47/00/1076524700.db2.gz WSZOHQJJUCCXLB-AWEZNQCLSA-N 1 2 382.461 -1.422 20 0 GAADLO CNC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001644839376 1076524637 /nfs/dbraw/zinc/52/46/37/1076524637.db2.gz WSZOHQJJUCCXLB-CQSZACIVSA-N 1 2 382.461 -1.422 20 0 GAADLO NS(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC001644845942 1076524711 /nfs/dbraw/zinc/52/47/11/1076524711.db2.gz ORIWIAAOAPCFKO-CYBMUJFWSA-N 1 2 388.490 -1.506 20 0 GAADLO NS(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC001644845943 1076524724 /nfs/dbraw/zinc/52/47/24/1076524724.db2.gz ORIWIAAOAPCFKO-ZDUSSCGKSA-N 1 2 388.490 -1.506 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC001645062011 1076525406 /nfs/dbraw/zinc/52/54/06/1076525406.db2.gz NGLYRNUZBQNMSO-HNNXBMFYSA-N 1 2 381.458 -1.003 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC001645062011 1076525402 /nfs/dbraw/zinc/52/54/02/1076525402.db2.gz NGLYRNUZBQNMSO-HNNXBMFYSA-N 1 2 381.458 -1.003 20 0 GAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC001645062016 1076525477 /nfs/dbraw/zinc/52/54/77/1076525477.db2.gz NGLYRNUZBQNMSO-OAHLLOKOSA-N 1 2 381.458 -1.003 20 0 GAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC001645062016 1076525473 /nfs/dbraw/zinc/52/54/73/1076525473.db2.gz NGLYRNUZBQNMSO-OAHLLOKOSA-N 1 2 381.458 -1.003 20 0 GAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC2(C1)C[C@H](O)CNC2=O ZINC001645226863 1076525705 /nfs/dbraw/zinc/52/57/05/1076525705.db2.gz RZKKYNISHFQAAN-KBPBESRZSA-N 1 2 380.445 -2.124 20 0 GAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC2(C1)C[C@H](O)CNC2=O ZINC001645226864 1076525729 /nfs/dbraw/zinc/52/57/29/1076525729.db2.gz RZKKYNISHFQAAN-KGLIPLIRSA-N 1 2 380.445 -2.124 20 0 GAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001645226865 1076525642 /nfs/dbraw/zinc/52/56/42/1076525642.db2.gz RZKKYNISHFQAAN-UONOGXRCSA-N 1 2 380.445 -2.124 20 0 GAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001645226866 1076525748 /nfs/dbraw/zinc/52/57/48/1076525748.db2.gz RZKKYNISHFQAAN-ZIAGYGMSSA-N 1 2 380.445 -2.124 20 0 GAADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001645249400 1076526047 /nfs/dbraw/zinc/52/60/47/1076526047.db2.gz AMUUSESKCWCTOK-KBPBESRZSA-N 1 2 398.489 -1.156 20 0 GAADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001645249400 1076526043 /nfs/dbraw/zinc/52/60/43/1076526043.db2.gz AMUUSESKCWCTOK-KBPBESRZSA-N 1 2 398.489 -1.156 20 0 GAADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001645249401 1076526071 /nfs/dbraw/zinc/52/60/71/1076526071.db2.gz AMUUSESKCWCTOK-KGLIPLIRSA-N 1 2 398.489 -1.156 20 0 GAADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001645249401 1076526067 /nfs/dbraw/zinc/52/60/67/1076526067.db2.gz AMUUSESKCWCTOK-KGLIPLIRSA-N 1 2 398.489 -1.156 20 0 GAADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001645249402 1076525994 /nfs/dbraw/zinc/52/59/94/1076525994.db2.gz AMUUSESKCWCTOK-UONOGXRCSA-N 1 2 398.489 -1.156 20 0 GAADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001645249402 1076525992 /nfs/dbraw/zinc/52/59/92/1076525992.db2.gz AMUUSESKCWCTOK-UONOGXRCSA-N 1 2 398.489 -1.156 20 0 GAADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001645249403 1076525930 /nfs/dbraw/zinc/52/59/30/1076525930.db2.gz AMUUSESKCWCTOK-ZIAGYGMSSA-N 1 2 398.489 -1.156 20 0 GAADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001645249403 1076525926 /nfs/dbraw/zinc/52/59/26/1076525926.db2.gz AMUUSESKCWCTOK-ZIAGYGMSSA-N 1 2 398.489 -1.156 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001645255949 1076526252 /nfs/dbraw/zinc/52/62/52/1076526252.db2.gz GMMKOFDEQUHPJN-GFCCVEGCSA-N 1 2 379.421 -1.377 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 ZINC001645255949 1076526249 /nfs/dbraw/zinc/52/62/49/1076526249.db2.gz GMMKOFDEQUHPJN-GFCCVEGCSA-N 1 2 379.421 -1.377 20 0 GAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001645255950 1076526181 /nfs/dbraw/zinc/52/61/81/1076526181.db2.gz GMMKOFDEQUHPJN-LBPRGKRZSA-N 1 2 379.421 -1.377 20 0 GAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 ZINC001645255950 1076526175 /nfs/dbraw/zinc/52/61/75/1076526175.db2.gz GMMKOFDEQUHPJN-LBPRGKRZSA-N 1 2 379.421 -1.377 20 0 GAADLO O=C(NCCn1ccc(=O)[nH]c1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001645307756 1076526411 /nfs/dbraw/zinc/52/64/11/1076526411.db2.gz DKGDYJXQIKIHNR-CYBMUJFWSA-N 1 2 379.417 -1.754 20 0 GAADLO O=C(NCCn1ccc(=O)[nH]c1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001645307762 1076526389 /nfs/dbraw/zinc/52/63/89/1076526389.db2.gz DKGDYJXQIKIHNR-ZDUSSCGKSA-N 1 2 379.417 -1.754 20 0 GAADLO O=C(NCCc1nnc2c(=O)[nH]ccn12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001645339710 1076526433 /nfs/dbraw/zinc/52/64/33/1076526433.db2.gz VQKYLZPSJZMYPK-OLZOCXBDSA-N 1 2 376.417 -1.044 20 0 GAADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001645438640 1076526968 /nfs/dbraw/zinc/52/69/68/1076526968.db2.gz VRSWKFVJGPIVLJ-LLVKDONJSA-N 1 2 382.402 -1.246 20 0 GAADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001645438640 1076526963 /nfs/dbraw/zinc/52/69/63/1076526963.db2.gz VRSWKFVJGPIVLJ-LLVKDONJSA-N 1 2 382.402 -1.246 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)NCC[N@H+]3CCC4(C3)OCCO4)[C@@H](O)C(=O)N2C)cn1 ZINC001646071814 1076527937 /nfs/dbraw/zinc/52/79/37/1076527937.db2.gz VREXISHBLRGULI-RBSFLKMASA-N 1 2 393.444 -1.525 20 0 GAADLO Cn1cc([C@@H]2[C@@H](C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)[C@@H](O)C(=O)N2C)cn1 ZINC001646071814 1076527933 /nfs/dbraw/zinc/52/79/33/1076527933.db2.gz VREXISHBLRGULI-RBSFLKMASA-N 1 2 393.444 -1.525 20 0 GAADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@@H](O)[C@H](CO)C3)C2=O)cc1 ZINC001646102276 1076528027 /nfs/dbraw/zinc/52/80/27/1076528027.db2.gz WRFHIMASKHOQNS-FVMIAERFSA-N 1 2 392.412 -1.222 20 0 GAADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@@H](O)[C@H](CO)C3)C2=O)cc1 ZINC001646102276 1076528023 /nfs/dbraw/zinc/52/80/23/1076528023.db2.gz WRFHIMASKHOQNS-FVMIAERFSA-N 1 2 392.412 -1.222 20 0 GAADLO 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/nfs/dbraw/zinc/55/51/72/1076555172.db2.gz YFYPMDUYIXIREZ-LBPRGKRZSA-N 1 2 385.508 -1.046 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCCCS(N)(=O)=O)[C@@H](C)C1 ZINC001663092373 1076555168 /nfs/dbraw/zinc/55/51/68/1076555168.db2.gz YFYPMDUYIXIREZ-LBPRGKRZSA-N 1 2 385.508 -1.046 20 0 GAADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC001663092377 1076555120 /nfs/dbraw/zinc/55/51/20/1076555120.db2.gz YJZKRPZCSPEAQD-GFCCVEGCSA-N 1 2 397.519 -1.223 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC001663092377 1076555116 /nfs/dbraw/zinc/55/51/16/1076555116.db2.gz YJZKRPZCSPEAQD-GFCCVEGCSA-N 1 2 397.519 -1.223 20 0 GAADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC001663092378 1076555192 /nfs/dbraw/zinc/55/51/92/1076555192.db2.gz YJZKRPZCSPEAQD-LBPRGKRZSA-N 1 2 397.519 -1.223 20 0 GAADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC001663092378 1076555187 /nfs/dbraw/zinc/55/51/87/1076555187.db2.gz 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CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(O)(C(N)=O)CC2)CC1 ZINC001668488061 1076567354 /nfs/dbraw/zinc/56/73/54/1076567354.db2.gz BZUGJMDGDMORRE-UHFFFAOYSA-N 1 2 376.479 -1.483 20 0 GAADLO COC(=O)[C@]1(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOC1 ZINC001670482839 1073511370 /nfs/dbraw/zinc/51/13/70/1073511370.db2.gz YVHABLMPAAKAHW-HNNXBMFYSA-N 1 2 376.479 -1.572 20 0 GAADLO COC(=O)[C@@]1(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOC1 ZINC001670482848 1073511396 /nfs/dbraw/zinc/51/13/96/1073511396.db2.gz YVHABLMPAAKAHW-OAHLLOKOSA-N 1 2 376.479 -1.572 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@@H](O)Cn2cccn2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001672100074 1076570952 /nfs/dbraw/zinc/57/09/52/1076570952.db2.gz POVVWRFFISFRFU-XUWVNRHRSA-N 1 2 380.445 -1.542 20 0 GAADLO O=C(NCC1(O)C[NH+](C[C@H](O)Cn2cccn2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001672100075 1076570987 /nfs/dbraw/zinc/57/09/87/1076570987.db2.gz POVVWRFFISFRFU-YHUYYLMFSA-N 1 2 380.445 -1.542 20 0 GAADLO NS(=O)(=O)CCOCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 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C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001676147654 1076574486 /nfs/dbraw/zinc/57/44/86/1076574486.db2.gz GNXNFNPHNOTMIX-QGZVFWFLSA-N 1 2 391.432 -1.167 20 0 GAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1nnc2c(=O)[nH]ccn12 ZINC001676147654 1076574482 /nfs/dbraw/zinc/57/44/82/1076574482.db2.gz GNXNFNPHNOTMIX-QGZVFWFLSA-N 1 2 391.432 -1.167 20 0 GAADLO CC(=O)NCC(=O)N1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001676246537 1076575006 /nfs/dbraw/zinc/57/50/06/1076575006.db2.gz WOULDOZRJKSZOM-UHFFFAOYSA-N 1 2 397.476 -1.185 20 0 GAADLO CC(=O)NCC(=O)N1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001676246537 1076575003 /nfs/dbraw/zinc/57/50/03/1076575003.db2.gz WOULDOZRJKSZOM-UHFFFAOYSA-N 1 2 397.476 -1.185 20 0 GAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001676252596 1076574988 /nfs/dbraw/zinc/57/49/88/1076574988.db2.gz UNPHDFRLHFBAGC-GFCCVEGCSA-N 1 2 375.451 -2.021 20 0 GAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001676252596 1076574985 /nfs/dbraw/zinc/57/49/85/1076574985.db2.gz UNPHDFRLHFBAGC-GFCCVEGCSA-N 1 2 375.451 -2.021 20 0 GAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001676252601 1076574873 /nfs/dbraw/zinc/57/48/73/1076574873.db2.gz UNPHDFRLHFBAGC-LBPRGKRZSA-N 1 2 375.451 -2.021 20 0 GAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001676252601 1076574868 /nfs/dbraw/zinc/57/48/68/1076574868.db2.gz UNPHDFRLHFBAGC-LBPRGKRZSA-N 1 2 375.451 -2.021 20 0 GAADLO C[NH+](C)CCN1CCN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC1=O ZINC001676358041 1076575111 /nfs/dbraw/zinc/57/51/11/1076575111.db2.gz NCCODNGASDNKGF-UHFFFAOYSA-N 1 2 387.466 -1.735 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001677039888 1076575768 /nfs/dbraw/zinc/57/57/68/1076575768.db2.gz BFMUVOSGMWFOQZ-HNNXBMFYSA-N 1 2 378.495 -1.159 20 0 GAADLO CCNS(=O)(=O)CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001677039888 1076575765 /nfs/dbraw/zinc/57/57/65/1076575765.db2.gz BFMUVOSGMWFOQZ-HNNXBMFYSA-N 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CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2nnc3n2CCNC3=O)CC1 ZINC001677101091 1076576153 /nfs/dbraw/zinc/57/61/53/1076576153.db2.gz DTQWCRJXFXPKFE-UHFFFAOYSA-N 1 2 399.477 -1.670 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCCS(N)(=O)=O)CC1 ZINC001677101464 1076576191 /nfs/dbraw/zinc/57/61/91/1076576191.db2.gz HVFWPWZOWZVYAQ-UHFFFAOYSA-N 1 2 384.524 -1.137 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](O)CS(C)(=O)=O)CC1 ZINC001677101667 1076576139 /nfs/dbraw/zinc/57/61/39/1076576139.db2.gz LADSZVCUAMTBCL-GFCCVEGCSA-N 1 2 385.508 -1.800 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H](O)CS(C)(=O)=O)CC1 ZINC001677101668 1076576087 /nfs/dbraw/zinc/57/60/87/1076576087.db2.gz LADSZVCUAMTBCL-LBPRGKRZSA-N 1 2 385.508 -1.800 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCN2C(=O)CNC2=O)CC1 ZINC001677102630 1076576205 /nfs/dbraw/zinc/57/62/05/1076576205.db2.gz XNINKHMHCOZRMP-UHFFFAOYSA-N 1 2 375.451 -1.654 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC001678369697 1076577287 /nfs/dbraw/zinc/57/72/87/1076577287.db2.gz FQNGSGXNUQWVMS-GFCCVEGCSA-N 1 2 387.462 -1.559 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001678369698 1076577307 /nfs/dbraw/zinc/57/73/07/1076577307.db2.gz FQNGSGXNUQWVMS-LBPRGKRZSA-N 1 2 387.462 -1.559 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001678369997 1076577422 /nfs/dbraw/zinc/57/74/22/1076577422.db2.gz JJIFNJGDMVXZGN-ZIAGYGMSSA-N 1 2 388.490 -1.206 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001678428302 1076577973 /nfs/dbraw/zinc/57/79/73/1076577973.db2.gz RUCGUJUPPAJFGH-FVCCEPFGSA-N 1 2 375.429 -1.275 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC001678662474 1076578222 /nfs/dbraw/zinc/57/82/22/1076578222.db2.gz JOFLAYZLQIPMPQ-CYBMUJFWSA-N 1 2 376.479 -1.219 20 0 GAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC001678662475 1076578254 /nfs/dbraw/zinc/57/82/54/1076578254.db2.gz 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C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCOCCS(C)(=O)=O ZINC001679021812 1076579103 /nfs/dbraw/zinc/57/91/03/1076579103.db2.gz IQGUWAXLUCDYIZ-INIZCTEOSA-N 1 2 393.506 -1.037 20 0 GAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCOCCS(C)(=O)=O ZINC001679021812 1076579101 /nfs/dbraw/zinc/57/91/01/1076579101.db2.gz IQGUWAXLUCDYIZ-INIZCTEOSA-N 1 2 393.506 -1.037 20 0 GAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCOCCS(C)(=O)=O ZINC001679021813 1076579147 /nfs/dbraw/zinc/57/91/47/1076579147.db2.gz IQGUWAXLUCDYIZ-MRXNPFEDSA-N 1 2 393.506 -1.037 20 0 GAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCOCCS(C)(=O)=O ZINC001679021813 1076579143 /nfs/dbraw/zinc/57/91/43/1076579143.db2.gz IQGUWAXLUCDYIZ-MRXNPFEDSA-N 1 2 393.506 -1.037 20 0 GAADLO CCOC1CC(CNC(=O)N2CC3(C2)NC(=O)NC3=O)([NH+]2CCOCC2)C1 ZINC001680719394 1076582351 /nfs/dbraw/zinc/58/23/51/1076582351.db2.gz HFKRDXAPINAECZ-UHFFFAOYSA-N 1 2 381.433 -1.140 20 0 GAADLO CN(C)S(=O)(=O)NCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001681318429 1076583574 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397.476 -1.405 20 0 GAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCS(N)(=O)=O)CC1 ZINC001682337229 1076584876 /nfs/dbraw/zinc/58/48/76/1076584876.db2.gz FDKCGSFGOVLYSE-UHFFFAOYSA-N 1 2 382.450 -1.127 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1O ZINC001682669231 1076585770 /nfs/dbraw/zinc/58/57/70/1076585770.db2.gz AKSUBZZWOUOTJD-HKUMRIAESA-N 1 2 384.458 -1.354 20 0 GAADLO CNS(=O)(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001682669935 1076586065 /nfs/dbraw/zinc/58/60/65/1076586065.db2.gz JVQWREFPACFYBW-PRULPYPASA-N 1 2 385.446 -2.239 20 0 GAADLO CNC(=O)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001682670576 1076586088 /nfs/dbraw/zinc/58/60/88/1076586088.db2.gz ROOPGJRKDWTWRA-HKUMRIAESA-N 1 2 375.429 -1.262 20 0 GAADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1O ZINC001682670713 1076586096 /nfs/dbraw/zinc/58/60/96/1076586096.db2.gz XJKBDBBWAFOHQM-RGCMKSIDSA-N 1 2 375.429 -1.262 20 0 GAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCCS(N)(=O)=O ZINC001682740756 1076586516 /nfs/dbraw/zinc/58/65/16/1076586516.db2.gz FLHHGRORZYWZJX-HNNXBMFYSA-N 1 2 378.495 -1.030 20 0 GAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCCCS(N)(=O)=O ZINC001682740756 1076586511 /nfs/dbraw/zinc/58/65/11/1076586511.db2.gz FLHHGRORZYWZJX-HNNXBMFYSA-N 1 2 378.495 -1.030 20 0 GAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCCS(N)(=O)=O ZINC001682740757 1076586456 /nfs/dbraw/zinc/58/64/56/1076586456.db2.gz FLHHGRORZYWZJX-OAHLLOKOSA-N 1 2 378.495 -1.030 20 0 GAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCCCS(N)(=O)=O ZINC001682740757 1076586453 /nfs/dbraw/zinc/58/64/53/1076586453.db2.gz FLHHGRORZYWZJX-OAHLLOKOSA-N 1 2 378.495 -1.030 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001682942262 1076586831 /nfs/dbraw/zinc/58/68/31/1076586831.db2.gz HWWHQWVPVHZDMD-BPGGGUHBSA-N 1 2 390.444 -1.271 20 0 GAADLO CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001682942262 1076586827 /nfs/dbraw/zinc/58/68/27/1076586827.db2.gz HWWHQWVPVHZDMD-BPGGGUHBSA-N 1 2 390.444 -1.271 20 0 GAADLO Cn1c[nH+]c(CCNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 ZINC001683005182 1076587112 /nfs/dbraw/zinc/58/71/12/1076587112.db2.gz FCSDGGQJVGCOIG-UHFFFAOYSA-N 1 2 399.521 -1.218 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001683459487 1076588599 /nfs/dbraw/zinc/58/85/99/1076588599.db2.gz BOTIACXMLRGSEN-PBHICJAKSA-N 1 2 386.449 -2.051 20 0 GAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001683459488 1076588658 /nfs/dbraw/zinc/58/86/58/1076588658.db2.gz BOTIACXMLRGSEN-RHSMWYFYSA-N 1 2 386.449 -2.051 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001683459489 1076588666 /nfs/dbraw/zinc/58/86/66/1076588666.db2.gz BOTIACXMLRGSEN-WMLDXEAASA-N 1 2 386.449 -2.051 20 0 GAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001683459490 1076588576 /nfs/dbraw/zinc/58/85/76/1076588576.db2.gz BOTIACXMLRGSEN-YOEHRIQHSA-N 1 2 386.449 -2.051 20 0 GAADLO Cn1cnn(CCC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)c1=O ZINC001683586960 1076589660 /nfs/dbraw/zinc/58/96/60/1076589660.db2.gz VOTGZRIPAKJUSN-OXHZDVMGSA-N 1 2 389.416 -1.813 20 0 GAADLO Cn1cnn(CCC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)c1=O ZINC001683586960 1076589654 /nfs/dbraw/zinc/58/96/54/1076589654.db2.gz VOTGZRIPAKJUSN-OXHZDVMGSA-N 1 2 389.416 -1.813 20 0 GAADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001684232355 1076591692 /nfs/dbraw/zinc/59/16/92/1076591692.db2.gz OBPQKEBPBCQONS-AWEZNQCLSA-N 1 2 380.453 -1.362 20 0 GAADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001684232356 1076591713 /nfs/dbraw/zinc/59/17/13/1076591713.db2.gz OBPQKEBPBCQONS-CQSZACIVSA-N 1 2 380.453 -1.362 20 0 GAADLO 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