smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C(N)=O)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159637215 361755583 /nfs/dbraw/zinc/75/55/83/361755583.db2.gz CVOGBPQMCIYERK-GDBMZVCRSA-N 1 2 274.364 1.424 20 70 CDIDLO CC[C@H](C(N)=O)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159637215 361755588 /nfs/dbraw/zinc/75/55/88/361755588.db2.gz CVOGBPQMCIYERK-GDBMZVCRSA-N 1 2 274.364 1.424 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161116796 362674732 /nfs/dbraw/zinc/67/47/32/362674732.db2.gz QGWSUXZDRSGDPV-CHWSQXEVSA-N 1 2 280.416 1.935 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161116796 362674739 /nfs/dbraw/zinc/67/47/39/362674739.db2.gz QGWSUXZDRSGDPV-CHWSQXEVSA-N 1 2 280.416 1.935 20 70 CDIDLO CC1(O)CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000161217712 362704172 /nfs/dbraw/zinc/70/41/72/362704172.db2.gz HUZORSDRJPXGGN-UHFFFAOYSA-N 1 2 273.340 1.009 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(NCCSCCCO)[nH+]1 ZINC000159368921 358444350 /nfs/dbraw/zinc/44/43/50/358444350.db2.gz QYCROPJOABKHGQ-UHFFFAOYSA-N 1 2 299.444 1.589 20 70 CDIDLO CC(C)c1nc(NCCSCCCO)nc(N(C)C)[nH+]1 ZINC000159368921 358444351 /nfs/dbraw/zinc/44/43/51/358444351.db2.gz QYCROPJOABKHGQ-UHFFFAOYSA-N 1 2 299.444 1.589 20 70 CDIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc(C)no2)CC1 ZINC000159495778 361720142 /nfs/dbraw/zinc/72/01/42/361720142.db2.gz BUZUSHGURNNMPM-SNVBAGLBSA-N 1 2 281.356 1.899 20 70 CDIDLO CCc1nnc(C[N@H+](C)CCc2nccs2)[nH]1 ZINC000159495349 364218786 /nfs/dbraw/zinc/21/87/86/364218786.db2.gz ABKBRBFPUFDQNQ-UHFFFAOYSA-N 1 2 251.359 1.498 20 70 CDIDLO CCc1nnc(C[N@@H+](C)CCc2nccs2)[nH]1 ZINC000159495349 364218789 /nfs/dbraw/zinc/21/87/89/364218789.db2.gz ABKBRBFPUFDQNQ-UHFFFAOYSA-N 1 2 251.359 1.498 20 70 CDIDLO CCc1nn(C)c(Cl)c1C(=O)NCCn1cc[nH+]c1 ZINC000160375850 364342273 /nfs/dbraw/zinc/34/22/73/364342273.db2.gz SSZBSOGIMDLMMH-UHFFFAOYSA-N 1 2 281.747 1.262 20 70 CDIDLO CCc1ncsc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000160989567 364437278 /nfs/dbraw/zinc/43/72/78/364437278.db2.gz STQDPRQKIMBWPW-WDEREUQCSA-N 1 2 297.424 1.233 20 70 CDIDLO CCc1ncsc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000160989567 364437282 /nfs/dbraw/zinc/43/72/82/364437282.db2.gz STQDPRQKIMBWPW-WDEREUQCSA-N 1 2 297.424 1.233 20 70 CDIDLO O=C(NCCOC1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160136265 376982180 /nfs/dbraw/zinc/98/21/80/376982180.db2.gz TVDYUQBFRFTWLO-GFCCVEGCSA-N 1 2 277.368 1.521 20 70 CDIDLO CC1(O)CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000161220236 377490362 /nfs/dbraw/zinc/49/03/62/377490362.db2.gz VEOYRDQYJKNFNQ-UHFFFAOYSA-N 1 2 284.306 1.750 20 70 CDIDLO CC(C)[C@@H](CNC(=O)c1cccc(F)n1)[NH+]1CCOCC1 ZINC000161243776 279851066 /nfs/dbraw/zinc/85/10/66/279851066.db2.gz BZGNEIIEXDMGLV-CYBMUJFWSA-N 1 2 295.358 1.307 20 70 CDIDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCOC[C@H]1C1CC1 ZINC000161317385 292803924 /nfs/dbraw/zinc/80/39/24/292803924.db2.gz VTQHFWNNYZLUFL-OCCSQVGLSA-N 1 2 275.352 1.083 20 70 CDIDLO CC[C@H](C)c1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)on1 ZINC000160602733 522033329 /nfs/dbraw/zinc/03/33/29/522033329.db2.gz IAZXZLKSKAAJNM-NWDGAFQWSA-N 1 2 295.383 1.639 20 70 CDIDLO CN(C)C(=O)C(C)(C)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000160879935 362194059 /nfs/dbraw/zinc/19/40/59/362194059.db2.gz DLADNGYOPZAPDY-UHFFFAOYSA-N 1 2 294.380 1.755 20 70 CDIDLO CCc1nnc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)[nH]1 ZINC000160242772 345748429 /nfs/dbraw/zinc/74/84/29/345748429.db2.gz SUXWIXASCXMASE-NSHDSACASA-N 1 2 294.399 1.778 20 70 CDIDLO CCc1nnc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)[nH]1 ZINC000160242772 345748432 /nfs/dbraw/zinc/74/84/32/345748432.db2.gz SUXWIXASCXMASE-NSHDSACASA-N 1 2 294.399 1.778 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000160375189 363837818 /nfs/dbraw/zinc/83/78/18/363837818.db2.gz FWTRYPYXADSPDS-CQSZACIVSA-N 1 2 270.336 1.526 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000160375189 363837828 /nfs/dbraw/zinc/83/78/28/363837828.db2.gz FWTRYPYXADSPDS-CQSZACIVSA-N 1 2 270.336 1.526 20 70 CDIDLO CCC(C)(C)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159865599 364274895 /nfs/dbraw/zinc/27/48/95/364274895.db2.gz VOJFFEBTONYKEK-LBPRGKRZSA-N 1 2 288.457 1.745 20 70 CDIDLO O=C([C@H]1CCCCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161144835 364454898 /nfs/dbraw/zinc/45/48/98/364454898.db2.gz ZIHMFIOPZLMCQF-OAHLLOKOSA-N 1 2 289.379 1.295 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000218224698 368673539 /nfs/dbraw/zinc/67/35/39/368673539.db2.gz LIRKFRXIURFYNV-UHFFFAOYSA-N 1 2 276.340 1.605 20 70 CDIDLO CC[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1c(C)noc1C ZINC000160373600 391509263 /nfs/dbraw/zinc/50/92/63/391509263.db2.gz BZTIZIYIPBSEKQ-RYUDHWBXSA-N 1 2 281.356 1.189 20 70 CDIDLO CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1c(C)noc1C ZINC000160373600 391509267 /nfs/dbraw/zinc/50/92/67/391509267.db2.gz BZTIZIYIPBSEKQ-RYUDHWBXSA-N 1 2 281.356 1.189 20 70 CDIDLO CCS(=O)(=O)C[C@@H](C)N(C)Cc1c[nH+]c2ccccn12 ZINC000160397475 521646981 /nfs/dbraw/zinc/64/69/81/521646981.db2.gz JOMSHDMXZVRRGP-GFCCVEGCSA-N 1 2 295.408 1.589 20 70 CDIDLO CNC(=O)C(C)(C)CNc1cc[nH+]c(C(C)C)n1 ZINC000161058755 539117158 /nfs/dbraw/zinc/11/71/58/539117158.db2.gz DEAPKYSPUNRWGC-UHFFFAOYSA-N 1 2 250.346 1.784 20 70 CDIDLO CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)cc1)C(=O)OC ZINC000159539320 362337680 /nfs/dbraw/zinc/33/76/80/362337680.db2.gz OQVWOAFMQGGKLJ-CYBMUJFWSA-N 1 2 278.352 1.266 20 70 CDIDLO CCOC(=O)C1CC[NH+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160480012 364358296 /nfs/dbraw/zinc/35/82/96/364358296.db2.gz LCTOJHFPRKJEKH-UHFFFAOYSA-N 1 2 293.367 1.520 20 70 CDIDLO CN1CC[N@H+](CCN2CCCC2=O)[C@H](c2ccccc2)C1 ZINC000161332461 364478724 /nfs/dbraw/zinc/47/87/24/364478724.db2.gz YEBPDJLUXLVYAJ-INIZCTEOSA-N 1 2 287.407 1.598 20 70 CDIDLO CN1CC[N@@H+](CCN2CCCC2=O)[C@H](c2ccccc2)C1 ZINC000161332461 364478728 /nfs/dbraw/zinc/47/87/28/364478728.db2.gz YEBPDJLUXLVYAJ-INIZCTEOSA-N 1 2 287.407 1.598 20 70 CDIDLO Cc1cnccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161487335 279027929 /nfs/dbraw/zinc/02/79/29/279027929.db2.gz ZZGYTQYVGUWUHM-NSHDSACASA-N 1 2 256.309 1.788 20 70 CDIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000159635666 361755279 /nfs/dbraw/zinc/75/52/79/361755279.db2.gz OBIMTGUBONKPQO-ZDUSSCGKSA-N 1 2 297.420 1.933 20 70 CDIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1 ZINC000159635666 361755281 /nfs/dbraw/zinc/75/52/81/361755281.db2.gz OBIMTGUBONKPQO-ZDUSSCGKSA-N 1 2 297.420 1.933 20 70 CDIDLO O=C(NC[C@H]1Cc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160115403 539115409 /nfs/dbraw/zinc/11/54/09/539115409.db2.gz VGOLRPQOYJUWEU-ZIAGYGMSSA-N 1 2 281.359 1.902 20 70 CDIDLO O=C(CSCC[NH+]1CCOCC1)c1ccc[nH]1 ZINC000159964643 188449149 /nfs/dbraw/zinc/44/91/49/188449149.db2.gz HEHZXXIWYHPZKT-UHFFFAOYSA-N 1 2 254.355 1.263 20 70 CDIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O)cc1 ZINC000159511355 364224090 /nfs/dbraw/zinc/22/40/90/364224090.db2.gz RXJLFCQMEGIMEE-QWRGUYRKSA-N 1 2 278.352 1.529 20 70 CDIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)cc1 ZINC000159511355 364224094 /nfs/dbraw/zinc/22/40/94/364224094.db2.gz RXJLFCQMEGIMEE-QWRGUYRKSA-N 1 2 278.352 1.529 20 70 CDIDLO O=C([C@@H]1CCCCO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000161158974 364456469 /nfs/dbraw/zinc/45/64/69/364456469.db2.gz ZYLYPSKCZMURPE-HNNXBMFYSA-N 1 2 289.379 1.295 20 70 CDIDLO CC(C)S(=O)(=O)CCC[NH+]1CCSCC1 ZINC000160872930 528297992 /nfs/dbraw/zinc/29/79/92/528297992.db2.gz NHBAFCMYEIZGKC-UHFFFAOYSA-N 1 2 251.417 1.249 20 70 CDIDLO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(=O)OC ZINC000159477250 362326519 /nfs/dbraw/zinc/32/65/19/362326519.db2.gz GQMVQKXAIADPGS-GFCCVEGCSA-N 1 2 279.336 1.542 20 70 CDIDLO CCCC1(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000160235131 364322500 /nfs/dbraw/zinc/32/25/00/364322500.db2.gz RVEGRCDNCJQXDE-UHFFFAOYSA-N 1 2 250.346 1.763 20 70 CDIDLO CC[N@H+](Cc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160581014 364377070 /nfs/dbraw/zinc/37/70/70/364377070.db2.gz OZAVLZPKBSNWEG-JTQLQIEISA-N 1 2 274.411 1.461 20 70 CDIDLO CC[N@@H+](Cc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160581014 364377074 /nfs/dbraw/zinc/37/70/74/364377074.db2.gz OZAVLZPKBSNWEG-JTQLQIEISA-N 1 2 274.411 1.461 20 70 CDIDLO COc1cc[nH+]c(CN2CCOC[C@H]2c2nc(C)no2)c1 ZINC000161101616 377156289 /nfs/dbraw/zinc/15/62/89/377156289.db2.gz PCDBBJGKGDSICI-ZDUSSCGKSA-N 1 2 290.323 1.355 20 70 CDIDLO Cc1ccc([C@H](O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159859228 361885050 /nfs/dbraw/zinc/88/50/50/361885050.db2.gz QUMFBUVUKMSJOV-LSDHHAIUSA-N 1 2 299.374 1.604 20 70 CDIDLO CCc1nnc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)[nH]1 ZINC000160206780 362055066 /nfs/dbraw/zinc/05/50/66/362055066.db2.gz OVLYYMNYAZZCBC-UHFFFAOYSA-N 1 2 293.415 1.542 20 70 CDIDLO CCOC(=O)CN(C)Cc1cn2c(cccc2C)[nH+]1 ZINC000159536696 345212458 /nfs/dbraw/zinc/21/24/58/345212458.db2.gz DSASHKKBEVAQKM-UHFFFAOYSA-N 1 2 261.325 1.638 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000216734686 140163944 /nfs/dbraw/zinc/16/39/44/140163944.db2.gz HWSWTMBXYYVXGO-GFCCVEGCSA-N 1 2 268.382 1.320 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000216734686 140163945 /nfs/dbraw/zinc/16/39/45/140163945.db2.gz HWSWTMBXYYVXGO-GFCCVEGCSA-N 1 2 268.382 1.320 20 70 CDIDLO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC(=O)C[C@H]2C)CC1 ZINC000159794370 292769401 /nfs/dbraw/zinc/76/94/01/292769401.db2.gz FALRNSHSPUWOJC-OCCSQVGLSA-N 1 2 266.385 1.544 20 70 CDIDLO CC[C@@H](C)c1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)on1 ZINC000160215200 362057759 /nfs/dbraw/zinc/05/77/59/362057759.db2.gz VQVXCZMQOOSYHB-NEPJUHHUSA-N 1 2 295.383 1.639 20 70 CDIDLO CCc1ccc(/C=C/C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)o1 ZINC000161122042 362681326 /nfs/dbraw/zinc/68/13/26/362681326.db2.gz COGVKNRSWRHQLP-CNBITHIKSA-N 1 2 290.363 1.397 20 70 CDIDLO CCc1ccc(/C=C/C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)o1 ZINC000161122042 362681331 /nfs/dbraw/zinc/68/13/31/362681331.db2.gz COGVKNRSWRHQLP-CNBITHIKSA-N 1 2 290.363 1.397 20 70 CDIDLO NC(=O)[C@H](SCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000159868628 364276137 /nfs/dbraw/zinc/27/61/37/364276137.db2.gz JMMCRFYZFNXVJT-CYBMUJFWSA-N 1 2 298.383 1.418 20 70 CDIDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCc2n[nH]cc2C1 ZINC000160829158 377120620 /nfs/dbraw/zinc/12/06/20/377120620.db2.gz FQYRYXGZAICGFS-UHFFFAOYSA-N 1 2 297.366 1.867 20 70 CDIDLO COc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000217009953 280088375 /nfs/dbraw/zinc/08/83/75/280088375.db2.gz BMKOAPFIKOHGBY-DAXSKMNVSA-N 1 2 257.293 1.748 20 70 CDIDLO COC(=O)[C@@H]1C[C@H](OC)CN1Cc1c[nH+]c2ccccn12 ZINC000160466028 523792601 /nfs/dbraw/zinc/79/26/01/523792601.db2.gz IOJBBWVZGHVVNM-STQMWFEESA-N 1 2 289.335 1.097 20 70 CDIDLO O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161363212 526822635 /nfs/dbraw/zinc/82/26/35/526822635.db2.gz YMRWLAWVFPRXBI-LLVKDONJSA-N 1 2 295.346 1.638 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1c(F)cccc1N1CCCC1 ZINC000160371523 363842029 /nfs/dbraw/zinc/84/20/29/363842029.db2.gz LKMIIHGNEPGCOH-OAHLLOKOSA-N 1 2 291.370 1.876 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1c(F)cccc1N1CCCC1 ZINC000160371523 363842033 /nfs/dbraw/zinc/84/20/33/363842033.db2.gz LKMIIHGNEPGCOH-OAHLLOKOSA-N 1 2 291.370 1.876 20 70 CDIDLO COCCC1(C(=O)N(C)Cc2[nH+]ccn2C)CCC1 ZINC000159814930 364270317 /nfs/dbraw/zinc/27/03/17/364270317.db2.gz XRAQMWGXPRYQOA-UHFFFAOYSA-N 1 2 265.357 1.585 20 70 CDIDLO C[NH2+][C@@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000160471141 364357448 /nfs/dbraw/zinc/35/74/48/364357448.db2.gz SWQWKIBHNKPHST-LLVKDONJSA-N 1 2 286.335 1.012 20 70 CDIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000160733119 364402826 /nfs/dbraw/zinc/40/28/26/364402826.db2.gz LGTUHRLFRYIWGR-PWSUYJOCSA-N 1 2 296.392 1.156 20 70 CDIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000160733119 364402837 /nfs/dbraw/zinc/40/28/37/364402837.db2.gz LGTUHRLFRYIWGR-PWSUYJOCSA-N 1 2 296.392 1.156 20 70 CDIDLO Cc1nc(N[C@H]2CCCN(CC(F)(F)F)C2=O)cc[nH+]1 ZINC000161503858 364504520 /nfs/dbraw/zinc/50/45/20/364504520.db2.gz AFMWWBDAYRAOQZ-VIFPVBQESA-N 1 2 288.273 1.750 20 70 CDIDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCC[C@H]1CO ZINC000217960075 280089684 /nfs/dbraw/zinc/08/96/84/280089684.db2.gz JQAQKILYOMVXHS-AAEUAGOBSA-N 1 2 273.336 1.154 20 70 CDIDLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000159363252 292756845 /nfs/dbraw/zinc/75/68/45/292756845.db2.gz UACICGXVCPLUOX-UHFFFAOYSA-N 1 2 298.390 1.985 20 70 CDIDLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccncc1 ZINC000161456004 522374566 /nfs/dbraw/zinc/37/45/66/522374566.db2.gz YTBYREDMZUKMLW-UHFFFAOYSA-N 1 2 256.309 1.724 20 70 CDIDLO CSCCCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000159911021 361925468 /nfs/dbraw/zinc/92/54/68/361925468.db2.gz KYBZLZAWRCWCNR-GFCCVEGCSA-N 1 2 274.430 1.357 20 70 CDIDLO CN(CCC(F)(F)F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160425389 529874166 /nfs/dbraw/zinc/87/41/66/529874166.db2.gz QJXFPJKRHAVNBN-VIFPVBQESA-N 1 2 275.274 1.856 20 70 CDIDLO CC[N@H+](CC(=O)N1CCc2ccccc21)Cc1cnn(C)c1 ZINC000161081962 362575737 /nfs/dbraw/zinc/57/57/37/362575737.db2.gz NDHIIFUBFAFQHY-UHFFFAOYSA-N 1 2 298.390 1.831 20 70 CDIDLO CC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1cnn(C)c1 ZINC000161081962 362575745 /nfs/dbraw/zinc/57/57/45/362575745.db2.gz NDHIIFUBFAFQHY-UHFFFAOYSA-N 1 2 298.390 1.831 20 70 CDIDLO CC[N@H+](CC(=O)NCc1ccco1)Cc1cnn(C)c1 ZINC000161084540 362577952 /nfs/dbraw/zinc/57/79/52/362577952.db2.gz YUASEGCLMBAEBB-UHFFFAOYSA-N 1 2 276.340 1.151 20 70 CDIDLO CC[N@@H+](CC(=O)NCc1ccco1)Cc1cnn(C)c1 ZINC000161084540 362577961 /nfs/dbraw/zinc/57/79/61/362577961.db2.gz YUASEGCLMBAEBB-UHFFFAOYSA-N 1 2 276.340 1.151 20 70 CDIDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1cccnc1 ZINC000159458855 364211075 /nfs/dbraw/zinc/21/10/75/364211075.db2.gz WTSAHZKFTAMIIC-OCCSQVGLSA-N 1 2 277.368 1.197 20 70 CDIDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)Cc1cccnc1 ZINC000159458855 364211088 /nfs/dbraw/zinc/21/10/88/364211088.db2.gz WTSAHZKFTAMIIC-OCCSQVGLSA-N 1 2 277.368 1.197 20 70 CDIDLO CCC(CC)(CNC(=O)NCCn1cc[nH+]c1)C(=O)OC ZINC000159579070 364236530 /nfs/dbraw/zinc/23/65/30/364236530.db2.gz HXGZELMTPXHVAW-UHFFFAOYSA-N 1 2 296.371 1.162 20 70 CDIDLO CSC[C@](C)(O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000217672739 367258291 /nfs/dbraw/zinc/25/82/91/367258291.db2.gz DDDZOLATZZYJBC-CQSZACIVSA-N 1 2 293.392 1.107 20 70 CDIDLO CCC(=O)c1cccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000160738052 377095906 /nfs/dbraw/zinc/09/59/06/377095906.db2.gz PTNXDLUCNZJURY-CQSZACIVSA-N 1 2 276.336 1.548 20 70 CDIDLO CCC(=O)c1cccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000160738052 377095910 /nfs/dbraw/zinc/09/59/10/377095910.db2.gz PTNXDLUCNZJURY-CQSZACIVSA-N 1 2 276.336 1.548 20 70 CDIDLO CN(Cc1nc(=O)c2sccc2[nH]1)[C@@H](C[NH3+])C1CC1 ZINC000160163169 362401488 /nfs/dbraw/zinc/40/14/88/362401488.db2.gz LJPBRSVZOPXGDJ-JTQLQIEISA-N 1 2 278.381 1.154 20 70 CDIDLO CC[N@H+](CC(=O)Nc1cc(C)no1)Cc1cnn(C)c1 ZINC000161109215 362675567 /nfs/dbraw/zinc/67/55/67/362675567.db2.gz OENNUPGXYAGKGU-UHFFFAOYSA-N 1 2 277.328 1.177 20 70 CDIDLO CC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1cnn(C)c1 ZINC000161109215 362675571 /nfs/dbraw/zinc/67/55/71/362675571.db2.gz OENNUPGXYAGKGU-UHFFFAOYSA-N 1 2 277.328 1.177 20 70 CDIDLO CCCCc1nc(CSCC[NH+]2CCOCC2)no1 ZINC000160028895 363594333 /nfs/dbraw/zinc/59/43/33/363594333.db2.gz RKNUOMWNVJZYJD-UHFFFAOYSA-N 1 2 285.413 1.978 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000160372658 363835721 /nfs/dbraw/zinc/83/57/21/363835721.db2.gz YSAPHNXYSYUAIL-CQSZACIVSA-N 1 2 288.326 1.461 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000160372658 363835724 /nfs/dbraw/zinc/83/57/24/363835724.db2.gz YSAPHNXYSYUAIL-CQSZACIVSA-N 1 2 288.326 1.461 20 70 CDIDLO CCC[N@H+](CC(=O)NCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160001215 364293016 /nfs/dbraw/zinc/29/30/16/364293016.db2.gz BTUPCMPFAQMMKX-ZDUSSCGKSA-N 1 2 291.395 1.862 20 70 CDIDLO CCC[N@@H+](CC(=O)NCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160001215 364293021 /nfs/dbraw/zinc/29/30/21/364293021.db2.gz BTUPCMPFAQMMKX-ZDUSSCGKSA-N 1 2 291.395 1.862 20 70 CDIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000161176571 364459963 /nfs/dbraw/zinc/45/99/63/364459963.db2.gz YCVXRALJZGURIK-CHWSQXEVSA-N 1 2 294.420 1.297 20 70 CDIDLO C[C@@H](O)CN(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160808336 377120009 /nfs/dbraw/zinc/12/00/09/377120009.db2.gz CBNQDBQYJWYBFQ-SECBINFHSA-N 1 2 263.345 1.398 20 70 CDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCc1ccccc1 ZINC000161200272 527438276 /nfs/dbraw/zinc/43/82/76/527438276.db2.gz TXANOVQLRQFNKD-UHFFFAOYSA-N 1 2 264.350 1.578 20 70 CDIDLO CN1CC[N@H+](C)C[C@H]1CNc1nnc(C(F)(F)F)s1 ZINC000160171633 362402557 /nfs/dbraw/zinc/40/25/57/362402557.db2.gz QEEJKBJEOCSCOI-SSDOTTSWSA-N 1 2 295.334 1.215 20 70 CDIDLO CN1CC[N@@H+](C)C[C@H]1CNc1nnc(C(F)(F)F)s1 ZINC000160171633 362402564 /nfs/dbraw/zinc/40/25/64/362402564.db2.gz QEEJKBJEOCSCOI-SSDOTTSWSA-N 1 2 295.334 1.215 20 70 CDIDLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC000160844058 346642222 /nfs/dbraw/zinc/64/22/22/346642222.db2.gz ZWZZISJYVPNJCL-QWHCGFSZSA-N 1 2 291.347 1.854 20 70 CDIDLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC000160844058 346642223 /nfs/dbraw/zinc/64/22/23/346642223.db2.gz ZWZZISJYVPNJCL-QWHCGFSZSA-N 1 2 291.347 1.854 20 70 CDIDLO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)cc1C ZINC000159599558 363041543 /nfs/dbraw/zinc/04/15/43/363041543.db2.gz MPKHMUSUUNUNSY-UHFFFAOYSA-N 1 2 294.395 1.165 20 70 CDIDLO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)cc1C ZINC000159599558 363041550 /nfs/dbraw/zinc/04/15/50/363041550.db2.gz MPKHMUSUUNUNSY-UHFFFAOYSA-N 1 2 294.395 1.165 20 70 CDIDLO CCC(C)(C)NC(=O)CSCC[NH+]1CCOCC1 ZINC000159793305 363320391 /nfs/dbraw/zinc/32/03/91/363320391.db2.gz XSYNWVLHQSTUPJ-UHFFFAOYSA-N 1 2 274.430 1.357 20 70 CDIDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000159492761 361718386 /nfs/dbraw/zinc/71/83/86/361718386.db2.gz USASIQSFBUADAJ-JQWIXIFHSA-N 1 2 281.356 1.899 20 70 CDIDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000159492761 361718392 /nfs/dbraw/zinc/71/83/92/361718392.db2.gz USASIQSFBUADAJ-JQWIXIFHSA-N 1 2 281.356 1.899 20 70 CDIDLO Cc1cc(C)n2c(nnc2SCCn2cc[nH+]c2)n1 ZINC000159516664 364225484 /nfs/dbraw/zinc/22/54/84/364225484.db2.gz HEHYLXHJQPXXAT-UHFFFAOYSA-N 1 2 274.353 1.730 20 70 CDIDLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCCO1 ZINC000160879084 364422672 /nfs/dbraw/zinc/42/26/72/364422672.db2.gz RZJMJMAFTRDGRL-LBPRGKRZSA-N 1 2 272.308 1.775 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1C ZINC000161283384 364474706 /nfs/dbraw/zinc/47/47/06/364474706.db2.gz UNFOWECPSPGUKS-LBPRGKRZSA-N 1 2 251.330 1.636 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1C ZINC000161283384 364474711 /nfs/dbraw/zinc/47/47/11/364474711.db2.gz UNFOWECPSPGUKS-LBPRGKRZSA-N 1 2 251.330 1.636 20 70 CDIDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000160887466 377122843 /nfs/dbraw/zinc/12/28/43/377122843.db2.gz BNEBDPFKQSGMNJ-CYBMUJFWSA-N 1 2 278.400 1.955 20 70 CDIDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000160887466 377122850 /nfs/dbraw/zinc/12/28/50/377122850.db2.gz BNEBDPFKQSGMNJ-CYBMUJFWSA-N 1 2 278.400 1.955 20 70 CDIDLO Cc1nn(C(C)(C)C)c(=O)n1Cc1[nH+]cc(Cl)n1C ZINC000160497912 279186642 /nfs/dbraw/zinc/18/66/42/279186642.db2.gz FBKRVFPJIKOJCE-UHFFFAOYSA-N 1 2 283.763 1.543 20 70 CDIDLO CCC[C@H](SCC[NH+]1CCOCC1)C(=O)OCC ZINC000159941502 292774392 /nfs/dbraw/zinc/77/43/92/292774392.db2.gz AIZQXVPAPGRZBG-LBPRGKRZSA-N 1 2 275.414 1.784 20 70 CDIDLO CCCC1(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000160233874 292781381 /nfs/dbraw/zinc/78/13/81/292781381.db2.gz UUWIWBKWBSCPRY-UHFFFAOYSA-N 1 2 269.389 1.198 20 70 CDIDLO Cn1cnnc1C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000160713996 292793036 /nfs/dbraw/zinc/79/30/36/292793036.db2.gz XYQZGULOKZRQAV-UHFFFAOYSA-N 1 2 299.378 1.666 20 70 CDIDLO CCOC(=O)CCCN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000160958315 520639209 /nfs/dbraw/zinc/63/92/09/520639209.db2.gz SQOUIGGRJQIGKB-UHFFFAOYSA-N 1 2 295.383 1.444 20 70 CDIDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ncn1 ZINC000161400605 539117648 /nfs/dbraw/zinc/11/76/48/539117648.db2.gz STTRACUNFQTRJV-INIZCTEOSA-N 1 2 296.374 1.914 20 70 CDIDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ncn1 ZINC000161400605 539117649 /nfs/dbraw/zinc/11/76/49/539117649.db2.gz STTRACUNFQTRJV-INIZCTEOSA-N 1 2 296.374 1.914 20 70 CDIDLO CCC(CC)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000160563443 346169584 /nfs/dbraw/zinc/16/95/84/346169584.db2.gz PODSASNQSHUOOO-UHFFFAOYSA-N 1 2 271.405 1.396 20 70 CDIDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000159526769 361729494 /nfs/dbraw/zinc/72/94/94/361729494.db2.gz ITUDJDWGCOEZSV-QEJZJMRPSA-N 1 2 289.379 1.472 20 70 CDIDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000159526769 361729500 /nfs/dbraw/zinc/72/95/00/361729500.db2.gz ITUDJDWGCOEZSV-QEJZJMRPSA-N 1 2 289.379 1.472 20 70 CDIDLO CC1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000159813520 278313602 /nfs/dbraw/zinc/31/36/02/278313602.db2.gz BMEZQYHHERFWLT-LLVKDONJSA-N 1 2 263.341 1.083 20 70 CDIDLO CCc1nnc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)[nH]1 ZINC000160678971 522289072 /nfs/dbraw/zinc/28/90/72/522289072.db2.gz OEKPKPWGVWESHL-MNOVXSKESA-N 1 2 252.362 1.350 20 70 CDIDLO CCc1nnc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)[nH]1 ZINC000160678971 522289080 /nfs/dbraw/zinc/28/90/80/522289080.db2.gz OEKPKPWGVWESHL-MNOVXSKESA-N 1 2 252.362 1.350 20 70 CDIDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3C(N)=O)n2c1 ZINC000160375730 526258013 /nfs/dbraw/zinc/25/80/13/526258013.db2.gz GSNBTQBEJVYLTJ-GFCCVEGCSA-N 1 2 258.325 1.092 20 70 CDIDLO Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3C(N)=O)n2c1 ZINC000160375730 526258016 /nfs/dbraw/zinc/25/80/16/526258016.db2.gz GSNBTQBEJVYLTJ-GFCCVEGCSA-N 1 2 258.325 1.092 20 70 CDIDLO O=C(NC[C@H]1CC=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160749965 526586340 /nfs/dbraw/zinc/58/63/40/526586340.db2.gz VSQBXLUCPSJRHO-STQMWFEESA-N 1 2 259.353 1.918 20 70 CDIDLO COC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000160135632 362036687 /nfs/dbraw/zinc/03/66/87/362036687.db2.gz YNSFJTHMHIFHFY-GFCCVEGCSA-N 1 2 286.372 1.348 20 70 CDIDLO COC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000160135632 362036690 /nfs/dbraw/zinc/03/66/90/362036690.db2.gz YNSFJTHMHIFHFY-GFCCVEGCSA-N 1 2 286.372 1.348 20 70 CDIDLO C[C@H](NC(=O)NC1(C)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000160850549 362186033 /nfs/dbraw/zinc/18/60/33/362186033.db2.gz VNHDIFIMHWMZHA-RYUDHWBXSA-N 1 2 269.389 1.337 20 70 CDIDLO CC(C)CNC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159919085 292773624 /nfs/dbraw/zinc/77/36/24/292773624.db2.gz BLSMAPZYWGBCMG-LBPRGKRZSA-N 1 2 274.430 1.213 20 70 CDIDLO CC(C)Cc1noc(CSCC[NH+]2CCOCC2)n1 ZINC000160054386 292776338 /nfs/dbraw/zinc/77/63/38/292776338.db2.gz LQCHOCSVEZBHBI-UHFFFAOYSA-N 1 2 285.413 1.834 20 70 CDIDLO CC[N@H+](CC(=O)N(C)c1nccs1)Cc1cnn(C)c1 ZINC000161132820 520305159 /nfs/dbraw/zinc/30/51/59/520305159.db2.gz MNJFQKMQPLYSHY-UHFFFAOYSA-N 1 2 293.396 1.362 20 70 CDIDLO CC[N@@H+](CC(=O)N(C)c1nccs1)Cc1cnn(C)c1 ZINC000161132820 520305167 /nfs/dbraw/zinc/30/51/67/520305167.db2.gz MNJFQKMQPLYSHY-UHFFFAOYSA-N 1 2 293.396 1.362 20 70 CDIDLO CC1(O)CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000161230412 520773313 /nfs/dbraw/zinc/77/33/13/520773313.db2.gz LIHATPPMJXLKQE-UHFFFAOYSA-N 1 2 284.306 1.750 20 70 CDIDLO C[C@@H]1CN(c2cc(S(=O)(=O)F)ccn2)[C@@H](C)C[N@@H+]1C ZINC001164637457 719256415 /nfs/dbraw/zinc/25/64/15/719256415.db2.gz VOJBFYXJCIDFKD-ZJUUUORDSA-N 1 2 287.360 1.269 20 70 CDIDLO C[C@@H]1CN(c2cc(S(=O)(=O)F)ccn2)[C@@H](C)C[N@H+]1C ZINC001164637457 719256417 /nfs/dbraw/zinc/25/64/17/719256417.db2.gz VOJBFYXJCIDFKD-ZJUUUORDSA-N 1 2 287.360 1.269 20 70 CDIDLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2nnc(CC)[nH]2)C1 ZINC000159463274 345062936 /nfs/dbraw/zinc/06/29/36/345062936.db2.gz LIIZGWHMHXYUTM-LBPRGKRZSA-N 1 2 294.399 1.922 20 70 CDIDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2nnc(CC)[nH]2)C1 ZINC000159463274 345062940 /nfs/dbraw/zinc/06/29/40/345062940.db2.gz LIIZGWHMHXYUTM-LBPRGKRZSA-N 1 2 294.399 1.922 20 70 CDIDLO CCOCCC1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000159484936 361711522 /nfs/dbraw/zinc/71/15/22/361711522.db2.gz GTCJPBKGCQHFGQ-CYBMUJFWSA-N 1 2 291.395 1.769 20 70 CDIDLO COCC(C)(C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159692439 364253225 /nfs/dbraw/zinc/25/32/25/364253225.db2.gz CKRDHXAZHRHYGZ-ZDUSSCGKSA-N 1 2 293.411 1.874 20 70 CDIDLO CCC[N@H+](CC(=O)NCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000160001366 364292345 /nfs/dbraw/zinc/29/23/45/364292345.db2.gz BTUPCMPFAQMMKX-CYBMUJFWSA-N 1 2 291.395 1.862 20 70 CDIDLO CCC[N@@H+](CC(=O)NCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000160001366 364292351 /nfs/dbraw/zinc/29/23/51/364292351.db2.gz BTUPCMPFAQMMKX-CYBMUJFWSA-N 1 2 291.395 1.862 20 70 CDIDLO COC(C[N@@H+]1CCO[C@@H](c2ccccc2)C1)OC ZINC000160534134 364367696 /nfs/dbraw/zinc/36/76/96/364367696.db2.gz JUDWHMVODFFERX-CYBMUJFWSA-N 1 2 251.326 1.679 20 70 CDIDLO COC(C[N@H+]1CCO[C@@H](c2ccccc2)C1)OC ZINC000160534134 364367699 /nfs/dbraw/zinc/36/76/99/364367699.db2.gz JUDWHMVODFFERX-CYBMUJFWSA-N 1 2 251.326 1.679 20 70 CDIDLO CCc1ncc(NC(=O)N(C)CCCn2cc[nH+]c2)cn1 ZINC000161127671 364452230 /nfs/dbraw/zinc/45/22/30/364452230.db2.gz GFBJGXXJUFUAAV-UHFFFAOYSA-N 1 2 288.355 1.790 20 70 CDIDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCC[C@H]1O ZINC000161281228 364473481 /nfs/dbraw/zinc/47/34/81/364473481.db2.gz MYKNLCLUIAUUIC-HKFHSAMXSA-N 1 2 297.358 1.915 20 70 CDIDLO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(C)(O)CC2)on1 ZINC000161204258 364462060 /nfs/dbraw/zinc/46/20/60/364462060.db2.gz VIFIXCRCFMBOOG-UHFFFAOYSA-N 1 2 295.383 1.757 20 70 CDIDLO C([C@H]1CCCN1c1nc(C2CC2)ns1)[NH+]1CCOCC1 ZINC000160387764 391508932 /nfs/dbraw/zinc/50/89/32/391508932.db2.gz CZDYXSDDWOUCRQ-GFCCVEGCSA-N 1 2 294.424 1.717 20 70 CDIDLO COCC(C)(C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159692303 361784177 /nfs/dbraw/zinc/78/41/77/361784177.db2.gz CKRDHXAZHRHYGZ-CYBMUJFWSA-N 1 2 293.411 1.874 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000160881106 362194977 /nfs/dbraw/zinc/19/49/77/362194977.db2.gz ACKCDLPCHZDTGX-CHWSQXEVSA-N 1 2 293.415 1.332 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000160881106 362194979 /nfs/dbraw/zinc/19/49/79/362194979.db2.gz ACKCDLPCHZDTGX-CHWSQXEVSA-N 1 2 293.415 1.332 20 70 CDIDLO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000159794490 363313925 /nfs/dbraw/zinc/31/39/25/363313925.db2.gz FALRNSHSPUWOJC-JSGCOSHPSA-N 1 2 266.385 1.544 20 70 CDIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccccc1 ZINC000161165427 358789380 /nfs/dbraw/zinc/78/93/80/358789380.db2.gz WKMMOCYTDMCQQE-UHFFFAOYSA-N 1 2 250.323 1.535 20 70 CDIDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccnn1C)CC2 ZINC000159779400 364263621 /nfs/dbraw/zinc/26/36/21/364263621.db2.gz RPNAZZYKFMMQGQ-UHFFFAOYSA-N 1 2 287.363 1.996 20 70 CDIDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccnn1C)CC2 ZINC000159779400 364263625 /nfs/dbraw/zinc/26/36/25/364263625.db2.gz RPNAZZYKFMMQGQ-UHFFFAOYSA-N 1 2 287.363 1.996 20 70 CDIDLO O=C1C[N@H+](Cc2cccc(-c3ccccn3)c2)CCN1 ZINC000160504343 364364938 /nfs/dbraw/zinc/36/49/38/364364938.db2.gz CJTJYOXQBWETLQ-UHFFFAOYSA-N 1 2 267.332 1.680 20 70 CDIDLO O=C1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CCN1 ZINC000160504343 364364942 /nfs/dbraw/zinc/36/49/42/364364942.db2.gz CJTJYOXQBWETLQ-UHFFFAOYSA-N 1 2 267.332 1.680 20 70 CDIDLO COC(=O)[C@H]1CCCCN1Cc1[nH+]ccn1C(C)C ZINC000160728593 364401254 /nfs/dbraw/zinc/40/12/54/364401254.db2.gz HXTDSSJWNWMCIK-GFCCVEGCSA-N 1 2 265.357 1.992 20 70 CDIDLO c1cn(C2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)nn1 ZINC000160232996 377041575 /nfs/dbraw/zinc/04/15/75/377041575.db2.gz MZKMLSNOWOBLFM-UHFFFAOYSA-N 1 2 299.382 1.732 20 70 CDIDLO c1cn(C2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)nn1 ZINC000160232996 377041587 /nfs/dbraw/zinc/04/15/87/377041587.db2.gz MZKMLSNOWOBLFM-UHFFFAOYSA-N 1 2 299.382 1.732 20 70 CDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000160597882 524626868 /nfs/dbraw/zinc/62/68/68/524626868.db2.gz FEJYKRYIVWGUHA-MELADBBJSA-N 1 2 268.401 1.650 20 70 CDIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ncnn2C)n1 ZINC000160365182 524854911 /nfs/dbraw/zinc/85/49/11/524854911.db2.gz VAJQDKYCXXQIAP-ZDUSSCGKSA-N 1 2 257.341 1.856 20 70 CDIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ncnn2C)n1 ZINC000160365182 524854917 /nfs/dbraw/zinc/85/49/17/524854917.db2.gz VAJQDKYCXXQIAP-ZDUSSCGKSA-N 1 2 257.341 1.856 20 70 CDIDLO O=C(Nc1ccncc1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161502742 342483645 /nfs/dbraw/zinc/48/36/45/342483645.db2.gz VZVDZSIBIDIOOF-SECBINFHSA-N 1 2 258.281 1.185 20 70 CDIDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)o1 ZINC000160996599 362439968 /nfs/dbraw/zinc/43/99/68/362439968.db2.gz LNWCODKEISFOTF-OAHLLOKOSA-N 1 2 292.379 1.665 20 70 CDIDLO CCCn1c(C)nnc1C[N@H+](C)CCOCC1CC1 ZINC000161016228 362480727 /nfs/dbraw/zinc/48/07/27/362480727.db2.gz NFVKBSJQYRKNOF-UHFFFAOYSA-N 1 2 266.389 1.855 20 70 CDIDLO CCCn1c(C)nnc1C[N@@H+](C)CCOCC1CC1 ZINC000161016228 362480730 /nfs/dbraw/zinc/48/07/30/362480730.db2.gz NFVKBSJQYRKNOF-UHFFFAOYSA-N 1 2 266.389 1.855 20 70 CDIDLO CC[N@H+](CC(=O)N1CCC(C)CC1)Cc1cnn(C)c1 ZINC000161078827 362560065 /nfs/dbraw/zinc/56/00/65/362560065.db2.gz HQFZFDZXMIWXLT-UHFFFAOYSA-N 1 2 278.400 1.501 20 70 CDIDLO CC[N@@H+](CC(=O)N1CCC(C)CC1)Cc1cnn(C)c1 ZINC000161078827 362560071 /nfs/dbraw/zinc/56/00/71/362560071.db2.gz HQFZFDZXMIWXLT-UHFFFAOYSA-N 1 2 278.400 1.501 20 70 CDIDLO CNC(=O)C(C)(C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000161069533 364443871 /nfs/dbraw/zinc/44/38/71/364443871.db2.gz LOPUWBQGTUPESE-UHFFFAOYSA-N 1 2 262.357 1.847 20 70 CDIDLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161137040 364453056 /nfs/dbraw/zinc/45/30/56/364453056.db2.gz WCFCGWVXAGNCIU-UHFFFAOYSA-N 1 2 297.420 1.934 20 70 CDIDLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161137040 364453062 /nfs/dbraw/zinc/45/30/62/364453062.db2.gz WCFCGWVXAGNCIU-UHFFFAOYSA-N 1 2 297.420 1.934 20 70 CDIDLO C[C@H](C[NH+]1CCOCC1)Nc1nnc(C2CC2)s1 ZINC000160289412 364605521 /nfs/dbraw/zinc/60/55/21/364605521.db2.gz DHPROORHNVAWAW-SECBINFHSA-N 1 2 268.386 1.548 20 70 CDIDLO Cc1ncsc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161425173 377620706 /nfs/dbraw/zinc/62/07/06/377620706.db2.gz SOFDALCVKINBAF-SNVBAGLBSA-N 1 2 276.365 1.527 20 70 CDIDLO Nc1nc(N2CCC(n3ccnn3)CC2)[nH+]c2ccccc12 ZINC000160213750 391502595 /nfs/dbraw/zinc/50/25/95/391502595.db2.gz UHLSMAFEPVLNGM-UHFFFAOYSA-N 1 2 295.350 1.645 20 70 CDIDLO C[C@@H]1C[C@H]1c1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000161035513 139911609 /nfs/dbraw/zinc/91/16/09/139911609.db2.gz UBAIOCHBTBUXOK-GMTAPVOTSA-N 1 2 285.351 1.931 20 70 CDIDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccn1 ZINC000217319524 140163574 /nfs/dbraw/zinc/16/35/74/140163574.db2.gz ZOKQVNAHAXFGDD-NSHDSACASA-N 1 2 257.341 1.860 20 70 CDIDLO CCCCNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159956873 292774297 /nfs/dbraw/zinc/77/42/97/292774297.db2.gz UYDBQOAWXSODET-GFCCVEGCSA-N 1 2 274.430 1.357 20 70 CDIDLO CO[C@H](C)c1noc(CSCC[NH+]2CCOCC2)n1 ZINC000160001550 292775891 /nfs/dbraw/zinc/77/58/91/292775891.db2.gz PGCKSLBXRVFCBE-SNVBAGLBSA-N 1 2 287.385 1.342 20 70 CDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCCc1ccccc1 ZINC000161200128 527437578 /nfs/dbraw/zinc/43/75/78/527437578.db2.gz PEBMWLAEEYCGIW-UHFFFAOYSA-N 1 2 278.377 1.968 20 70 CDIDLO CC(C)c1nc(CSCC[NH+]2CCOCC2)no1 ZINC000159811271 361870322 /nfs/dbraw/zinc/87/03/22/361870322.db2.gz NCHUUHLXALVSLQ-UHFFFAOYSA-N 1 2 271.386 1.758 20 70 CDIDLO C[C@H](C[NH+]1CCOCC1)Nc1nnc(C(C)(C)C)s1 ZINC000160290503 539115728 /nfs/dbraw/zinc/11/57/28/539115728.db2.gz VRIZKSFTWGLELX-SNVBAGLBSA-N 1 2 284.429 1.968 20 70 CDIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(F)cc1 ZINC000161169314 358789676 /nfs/dbraw/zinc/78/96/76/358789676.db2.gz ZPBZEZWZMPTENQ-UHFFFAOYSA-N 1 2 268.313 1.674 20 70 CDIDLO COc1ccc(OCC[N@H+](C)Cc2nncn2C)cc1 ZINC000160701172 360786121 /nfs/dbraw/zinc/78/61/21/360786121.db2.gz DXGVTWPKPWYHPG-UHFFFAOYSA-N 1 2 276.340 1.335 20 70 CDIDLO COc1ccc(OCC[N@@H+](C)Cc2nncn2C)cc1 ZINC000160701172 360786125 /nfs/dbraw/zinc/78/61/25/360786125.db2.gz DXGVTWPKPWYHPG-UHFFFAOYSA-N 1 2 276.340 1.335 20 70 CDIDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000216734877 364092759 /nfs/dbraw/zinc/09/27/59/364092759.db2.gz JSQZMPOKAXQMNQ-CYBMUJFWSA-N 1 2 282.409 1.628 20 70 CDIDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000216734877 364092769 /nfs/dbraw/zinc/09/27/69/364092769.db2.gz JSQZMPOKAXQMNQ-CYBMUJFWSA-N 1 2 282.409 1.628 20 70 CDIDLO NC(=O)[C@@H](SCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000159868491 364275907 /nfs/dbraw/zinc/27/59/07/364275907.db2.gz JMMCRFYZFNXVJT-ZDUSSCGKSA-N 1 2 298.383 1.418 20 70 CDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000159826212 364271975 /nfs/dbraw/zinc/27/19/75/364271975.db2.gz ZYMXGCPRTIHLFL-CQSZACIVSA-N 1 2 290.363 1.167 20 70 CDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000159826212 364271979 /nfs/dbraw/zinc/27/19/79/364271979.db2.gz ZYMXGCPRTIHLFL-CQSZACIVSA-N 1 2 290.363 1.167 20 70 CDIDLO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1nc(C(C)(C)C)no1 ZINC000161274643 377200346 /nfs/dbraw/zinc/20/03/46/377200346.db2.gz KJUHWBIHSIKDDX-IUCAKERBSA-N 1 2 266.345 1.248 20 70 CDIDLO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000217557268 140162633 /nfs/dbraw/zinc/16/26/33/140162633.db2.gz QGIRUMSVNSNRQT-DMRZNYOFSA-N 1 2 265.445 1.979 20 70 CDIDLO CC[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)C[C@@H]1CCCO1 ZINC000218458534 140165464 /nfs/dbraw/zinc/16/54/64/140165464.db2.gz ZJSZBGXVRVYDEK-DZGCQCFKSA-N 1 2 284.400 1.217 20 70 CDIDLO CC[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)C[C@@H]1CCCO1 ZINC000218458534 140165466 /nfs/dbraw/zinc/16/54/66/140165466.db2.gz ZJSZBGXVRVYDEK-DZGCQCFKSA-N 1 2 284.400 1.217 20 70 CDIDLO COC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000160135485 362035059 /nfs/dbraw/zinc/03/50/59/362035059.db2.gz YNSFJTHMHIFHFY-LBPRGKRZSA-N 1 2 286.372 1.348 20 70 CDIDLO COC(=O)[C@H](C)[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000160135485 362035066 /nfs/dbraw/zinc/03/50/66/362035066.db2.gz YNSFJTHMHIFHFY-LBPRGKRZSA-N 1 2 286.372 1.348 20 70 CDIDLO CCc1nnc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)[nH]1 ZINC000160208202 362056149 /nfs/dbraw/zinc/05/61/49/362056149.db2.gz RJIILJHHEQAPJC-UHFFFAOYSA-N 1 2 281.404 1.398 20 70 CDIDLO Cn1cnnc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000160890589 362196298 /nfs/dbraw/zinc/19/62/98/362196298.db2.gz FQWOLINMRCIPQG-UHFFFAOYSA-N 1 2 264.373 1.739 20 70 CDIDLO CN(C(=O)c1cc(F)c(F)c(O)c1F)[C@H](C[NH3+])C1CC1 ZINC000159850349 362375775 /nfs/dbraw/zinc/37/57/75/362375775.db2.gz RRACHESBMHAKOJ-SECBINFHSA-N 1 2 288.269 1.619 20 70 CDIDLO CCc1ccc(/C=C/C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000161122146 362680450 /nfs/dbraw/zinc/68/04/50/362680450.db2.gz COGVKNRSWRHQLP-KXLSMFKISA-N 1 2 290.363 1.397 20 70 CDIDLO CCc1ccc(/C=C/C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000161122146 362680453 /nfs/dbraw/zinc/68/04/53/362680453.db2.gz COGVKNRSWRHQLP-KXLSMFKISA-N 1 2 290.363 1.397 20 70 CDIDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000160110996 363670405 /nfs/dbraw/zinc/67/04/05/363670405.db2.gz JAFHYFXQIDNBLO-ZIAGYGMSSA-N 1 2 297.443 1.624 20 70 CDIDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000160110996 363670412 /nfs/dbraw/zinc/67/04/12/363670412.db2.gz JAFHYFXQIDNBLO-ZIAGYGMSSA-N 1 2 297.443 1.624 20 70 CDIDLO CC(C)NC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159450976 390939865 /nfs/dbraw/zinc/93/98/65/390939865.db2.gz RQQASTLXFQXOOP-KRWDZBQOSA-N 1 2 288.391 1.685 20 70 CDIDLO CC(C)NC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159450976 390939866 /nfs/dbraw/zinc/93/98/66/390939866.db2.gz RQQASTLXFQXOOP-KRWDZBQOSA-N 1 2 288.391 1.685 20 70 CDIDLO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000159794733 292769581 /nfs/dbraw/zinc/76/95/81/292769581.db2.gz FALRNSHSPUWOJC-GXTWGEPZSA-N 1 2 266.385 1.544 20 70 CDIDLO COC(=O)C[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000160971517 523354512 /nfs/dbraw/zinc/35/45/12/523354512.db2.gz BSPNYDBMHHJBDE-ZDUSSCGKSA-N 1 2 289.335 1.098 20 70 CDIDLO Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161182828 524633661 /nfs/dbraw/zinc/63/36/61/524633661.db2.gz BHDOTFMGRBNAHJ-UHFFFAOYSA-N 1 2 264.350 1.844 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000160366477 342482884 /nfs/dbraw/zinc/48/28/84/342482884.db2.gz NYXAKOXYFNDDBP-SNVBAGLBSA-N 1 2 251.355 1.470 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000160366477 342482885 /nfs/dbraw/zinc/48/28/85/342482885.db2.gz NYXAKOXYFNDDBP-SNVBAGLBSA-N 1 2 251.355 1.470 20 70 CDIDLO CCc1nnc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)[nH]1 ZINC000159601429 361749276 /nfs/dbraw/zinc/74/92/76/361749276.db2.gz MQVGJUOUKRRVJT-NEPJUHHUSA-N 1 2 296.440 1.854 20 70 CDIDLO CCc1nnc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)[nH]1 ZINC000159601429 361749279 /nfs/dbraw/zinc/74/92/79/361749279.db2.gz MQVGJUOUKRRVJT-NEPJUHHUSA-N 1 2 296.440 1.854 20 70 CDIDLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1ccccc1F ZINC000160474255 362228895 /nfs/dbraw/zinc/22/88/95/362228895.db2.gz MCOLMHMIHPPCGY-RISCZKNCSA-N 1 2 290.338 1.609 20 70 CDIDLO O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1ccccc1F ZINC000160474255 362228898 /nfs/dbraw/zinc/22/88/98/362228898.db2.gz MCOLMHMIHPPCGY-RISCZKNCSA-N 1 2 290.338 1.609 20 70 CDIDLO O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CSC[NH2+]1 ZINC000161190368 188514204 /nfs/dbraw/zinc/51/42/04/188514204.db2.gz AUPHIIGBPIWWGN-ZETCQYMHSA-N 1 2 280.275 1.046 20 70 CDIDLO CCCC[C@@H](SCC[NH+]1CCOCC1)C(=O)OC ZINC000159999357 363563888 /nfs/dbraw/zinc/56/38/88/363563888.db2.gz XFNSTVNRIZRHEY-GFCCVEGCSA-N 1 2 275.414 1.784 20 70 CDIDLO CCOC(=O)C1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000161086272 360640931 /nfs/dbraw/zinc/64/09/31/360640931.db2.gz MVJFCTGTWHEREI-UHFFFAOYSA-N 1 2 291.413 1.086 20 70 CDIDLO O=C(NCCn1cc[nH+]c1)N1CCc2cccc(F)c2C1 ZINC000159710350 364254102 /nfs/dbraw/zinc/25/41/02/364254102.db2.gz IDJRNIVTEUSPIN-UHFFFAOYSA-N 1 2 288.326 1.790 20 70 CDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C)c1C ZINC000159809156 364268830 /nfs/dbraw/zinc/26/88/30/364268830.db2.gz IGKHFPDUMOHSGG-CQSZACIVSA-N 1 2 290.363 1.167 20 70 CDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)c1C ZINC000159809156 364268833 /nfs/dbraw/zinc/26/88/33/364268833.db2.gz IGKHFPDUMOHSGG-CQSZACIVSA-N 1 2 290.363 1.167 20 70 CDIDLO CCC[N@H+](Cc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161119033 139911629 /nfs/dbraw/zinc/91/16/29/139911629.db2.gz QYQCERNQFGWTQT-LBPRGKRZSA-N 1 2 271.386 1.117 20 70 CDIDLO CCC[N@@H+](Cc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161119033 139911630 /nfs/dbraw/zinc/91/16/30/139911630.db2.gz QYQCERNQFGWTQT-LBPRGKRZSA-N 1 2 271.386 1.117 20 70 CDIDLO CC(C)NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159450875 390939915 /nfs/dbraw/zinc/93/99/15/390939915.db2.gz RQQASTLXFQXOOP-QGZVFWFLSA-N 1 2 288.391 1.685 20 70 CDIDLO CC(C)NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159450875 390939916 /nfs/dbraw/zinc/93/99/16/390939916.db2.gz RQQASTLXFQXOOP-QGZVFWFLSA-N 1 2 288.391 1.685 20 70 CDIDLO COc1cccc(N2CC[NH+](Cc3ccnn3C)CC2)c1 ZINC000160691463 292792665 /nfs/dbraw/zinc/79/26/65/292792665.db2.gz AWYUNVRRNIAANQ-UHFFFAOYSA-N 1 2 286.379 1.751 20 70 CDIDLO CCC[N@H+](CC(=O)NC)Cc1cnc2ccccn12 ZINC000160431278 521547410 /nfs/dbraw/zinc/54/74/10/521547410.db2.gz ONQCTROQPDETAM-UHFFFAOYSA-N 1 2 260.341 1.292 20 70 CDIDLO CCC[N@@H+](CC(=O)NC)Cc1cnc2ccccn12 ZINC000160431278 521547417 /nfs/dbraw/zinc/54/74/17/521547417.db2.gz ONQCTROQPDETAM-UHFFFAOYSA-N 1 2 260.341 1.292 20 70 CDIDLO CCCn1c(C)nnc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000161436766 521624873 /nfs/dbraw/zinc/62/48/73/521624873.db2.gz FUOGMCSGLWTQLA-QWHCGFSZSA-N 1 2 296.440 1.703 20 70 CDIDLO CCCn1c(C)nnc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000161436766 521624875 /nfs/dbraw/zinc/62/48/75/521624875.db2.gz FUOGMCSGLWTQLA-QWHCGFSZSA-N 1 2 296.440 1.703 20 70 CDIDLO C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)O1 ZINC000160622133 290741974 /nfs/dbraw/zinc/74/19/74/290741974.db2.gz OVSJVCRDXSMPJB-NWDGAFQWSA-N 1 2 277.368 1.471 20 70 CDIDLO CCCCCNC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161116050 362675036 /nfs/dbraw/zinc/67/50/36/362675036.db2.gz KIAWDWXKAOVCFH-CYBMUJFWSA-N 1 2 280.416 1.937 20 70 CDIDLO CCCCCNC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161116050 362675040 /nfs/dbraw/zinc/67/50/40/362675040.db2.gz KIAWDWXKAOVCFH-CYBMUJFWSA-N 1 2 280.416 1.937 20 70 CDIDLO CCCC[C@H](SCC[NH+]1CCOCC1)C(=O)OC ZINC000159999229 363562952 /nfs/dbraw/zinc/56/29/52/363562952.db2.gz XFNSTVNRIZRHEY-LBPRGKRZSA-N 1 2 275.414 1.784 20 70 CDIDLO CCC[C@](C)(CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000159556665 361729032 /nfs/dbraw/zinc/72/90/32/361729032.db2.gz DLHBTJLPDVGJBN-OAHLLOKOSA-N 1 2 275.352 1.544 20 70 CDIDLO CC[N@H+](Cc1cccnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160580439 364042611 /nfs/dbraw/zinc/04/26/11/364042611.db2.gz XFKFNKIWZLTFFP-ZDUSSCGKSA-N 1 2 268.382 1.399 20 70 CDIDLO CC[N@@H+](Cc1cccnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160580439 364042616 /nfs/dbraw/zinc/04/26/16/364042616.db2.gz XFKFNKIWZLTFFP-ZDUSSCGKSA-N 1 2 268.382 1.399 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000160094168 364305190 /nfs/dbraw/zinc/30/51/90/364305190.db2.gz CVVFVGGGFDRALV-JSGCOSHPSA-N 1 2 278.352 1.654 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000160094168 364305193 /nfs/dbraw/zinc/30/51/93/364305193.db2.gz CVVFVGGGFDRALV-JSGCOSHPSA-N 1 2 278.352 1.654 20 70 CDIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000160733357 364403125 /nfs/dbraw/zinc/40/31/25/364403125.db2.gz LGTUHRLFRYIWGR-ZYHUDNBSSA-N 1 2 296.392 1.156 20 70 CDIDLO C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000160733357 364403132 /nfs/dbraw/zinc/40/31/32/364403132.db2.gz LGTUHRLFRYIWGR-ZYHUDNBSSA-N 1 2 296.392 1.156 20 70 CDIDLO O=C(N[C@H]1CCc2c1cccc2O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161344527 373504940 /nfs/dbraw/zinc/50/49/40/373504940.db2.gz WESLMEBMUFHMCY-FZMZJTMJSA-N 1 2 297.358 1.955 20 70 CDIDLO c1cc(-c2noc(CSCC[NH+]3CCOCC3)n2)co1 ZINC000160032911 292776309 /nfs/dbraw/zinc/77/63/09/292776309.db2.gz DBVDNDGZSKGPKS-UHFFFAOYSA-N 1 2 295.364 1.895 20 70 CDIDLO COC(=O)C1CC[NH+](CCCS(=O)(=O)C(C)C)CC1 ZINC000160499403 292788459 /nfs/dbraw/zinc/78/84/59/292788459.db2.gz VSUHKGNCCSQOIC-UHFFFAOYSA-N 1 2 291.413 1.085 20 70 CDIDLO CCn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)C)CC1 ZINC000160765859 362166689 /nfs/dbraw/zinc/16/66/89/362166689.db2.gz FARNRJGSUGHCCU-UHFFFAOYSA-N 1 2 278.400 1.593 20 70 CDIDLO O=C(COc1cccnc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218097461 344859855 /nfs/dbraw/zinc/85/98/55/344859855.db2.gz IYRTZRDRVXNVOP-CYBMUJFWSA-N 1 2 298.346 1.251 20 70 CDIDLO Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000160078301 363646570 /nfs/dbraw/zinc/64/65/70/363646570.db2.gz QHYOUDZFCJTZJF-CYBMUJFWSA-N 1 2 270.336 1.465 20 70 CDIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000160684342 360772597 /nfs/dbraw/zinc/77/25/97/360772597.db2.gz KKZFKZKIQGSGPE-CHWSQXEVSA-N 1 2 292.383 1.750 20 70 CDIDLO CC(C)(C)Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)n[nH]1 ZINC000161047917 361669204 /nfs/dbraw/zinc/66/92/04/361669204.db2.gz MZKHWYVFGAPEIP-SECBINFHSA-N 1 2 268.386 1.599 20 70 CDIDLO CCc1nnc(C[NH2+][C@H](CCO)c2ccccc2)[nH]1 ZINC000160292964 364330185 /nfs/dbraw/zinc/33/01/85/364330185.db2.gz UGMMYPVFSCONSB-GFCCVEGCSA-N 1 2 260.341 1.580 20 70 CDIDLO O=C([C@@H]1CCCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161113592 364449244 /nfs/dbraw/zinc/44/92/44/364449244.db2.gz IYMWLUQVYMJQFP-HNNXBMFYSA-N 1 2 289.379 1.295 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000161271535 364472293 /nfs/dbraw/zinc/47/22/93/364472293.db2.gz IMXNEFOTSYRJQF-CYBMUJFWSA-N 1 2 294.351 1.719 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000161271535 364472294 /nfs/dbraw/zinc/47/22/94/364472294.db2.gz IMXNEFOTSYRJQF-CYBMUJFWSA-N 1 2 294.351 1.719 20 70 CDIDLO CCCn1c(C)nnc1C[NH+]1CCC(CC(=O)NC)CC1 ZINC000160136011 377047942 /nfs/dbraw/zinc/04/79/42/377047942.db2.gz MZXUBRGAQYHPCY-UHFFFAOYSA-N 1 2 293.415 1.345 20 70 CDIDLO CCc1nnc([C@H](C)SCC[NH+]2CCOCC2)o1 ZINC000160066491 376998921 /nfs/dbraw/zinc/99/89/21/376998921.db2.gz KBBJECOXCJNULQ-JTQLQIEISA-N 1 2 271.386 1.758 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1cnn(C)c1 ZINC000160559099 390979846 /nfs/dbraw/zinc/97/98/46/390979846.db2.gz DNQQIIFROJCRKP-UHFFFAOYSA-N 1 2 273.402 1.065 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1cnn(C)c1 ZINC000160559099 390979847 /nfs/dbraw/zinc/97/98/47/390979847.db2.gz DNQQIIFROJCRKP-UHFFFAOYSA-N 1 2 273.402 1.065 20 70 CDIDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1F ZINC000216735003 140163974 /nfs/dbraw/zinc/16/39/74/140163974.db2.gz IXOFINBIIKKUNR-LLVKDONJSA-N 1 2 286.372 1.459 20 70 CDIDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)ccc1F ZINC000216735003 140163975 /nfs/dbraw/zinc/16/39/75/140163975.db2.gz IXOFINBIIKKUNR-LLVKDONJSA-N 1 2 286.372 1.459 20 70 CDIDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 ZINC000160981738 292797346 /nfs/dbraw/zinc/79/73/46/292797346.db2.gz PXTXODXGDQCEJO-AWEZNQCLSA-N 1 2 294.420 1.880 20 70 CDIDLO Cn1cc(N2CC[NH+](Cc3cnc4ccccn34)CC2)cn1 ZINC000160922033 527252583 /nfs/dbraw/zinc/25/25/83/527252583.db2.gz UEFUFECQLHVRBJ-UHFFFAOYSA-N 1 2 296.378 1.390 20 70 CDIDLO O=C(Nc1ccncc1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161502860 342483653 /nfs/dbraw/zinc/48/36/53/342483653.db2.gz VZVDZSIBIDIOOF-VIFPVBQESA-N 1 2 258.281 1.185 20 70 CDIDLO COCCN(CC(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159575877 361740222 /nfs/dbraw/zinc/74/02/22/361740222.db2.gz CABBLPNATZXNGA-CYBMUJFWSA-N 1 2 279.384 1.577 20 70 CDIDLO CC[N@H+](Cc1nncn1C)Cc1ccc(OC)c(OC)c1 ZINC000160740581 360866088 /nfs/dbraw/zinc/86/60/88/360866088.db2.gz HJZSLQCINZBJHR-UHFFFAOYSA-N 1 2 290.367 1.854 20 70 CDIDLO CC[N@@H+](Cc1nncn1C)Cc1ccc(OC)c(OC)c1 ZINC000160740581 360866092 /nfs/dbraw/zinc/86/60/92/360866092.db2.gz HJZSLQCINZBJHR-UHFFFAOYSA-N 1 2 290.367 1.854 20 70 CDIDLO COc1cc2c(cc1OC)C[N@H+](Cc1cc[nH]n1)CC2 ZINC000159784388 364265259 /nfs/dbraw/zinc/26/52/59/364265259.db2.gz DWBUJKIIFDMQPQ-UHFFFAOYSA-N 1 2 273.336 1.985 20 70 CDIDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cc[nH]n1)CC2 ZINC000159784388 364265263 /nfs/dbraw/zinc/26/52/63/364265263.db2.gz DWBUJKIIFDMQPQ-UHFFFAOYSA-N 1 2 273.336 1.985 20 70 CDIDLO COC(C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1)OC ZINC000161149955 364454586 /nfs/dbraw/zinc/45/45/86/364454586.db2.gz AFOFFXDKUOBQJB-LLVKDONJSA-N 1 2 255.314 1.580 20 70 CDIDLO COC(C[N@H+]1CCOC[C@@H]1c1ccc(C)o1)OC ZINC000161149955 364454589 /nfs/dbraw/zinc/45/45/89/364454589.db2.gz AFOFFXDKUOBQJB-LLVKDONJSA-N 1 2 255.314 1.580 20 70 CDIDLO CC(C)n1cc[nH+]c1CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000160700714 377094624 /nfs/dbraw/zinc/09/46/24/377094624.db2.gz GFTTWMZAEFVBIT-LLVKDONJSA-N 1 2 271.386 1.083 20 70 CDIDLO CCC[N@H+](Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161107603 377156691 /nfs/dbraw/zinc/15/66/91/377156691.db2.gz PLWZZRRWUIJSHZ-ZDUSSCGKSA-N 1 2 283.393 1.791 20 70 CDIDLO CCC[N@@H+](Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161107603 377156702 /nfs/dbraw/zinc/15/67/02/377156702.db2.gz PLWZZRRWUIJSHZ-ZDUSSCGKSA-N 1 2 283.393 1.791 20 70 CDIDLO CCC[N@H+](Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161107517 377156997 /nfs/dbraw/zinc/15/69/97/377156997.db2.gz PLWZZRRWUIJSHZ-CYBMUJFWSA-N 1 2 283.393 1.791 20 70 CDIDLO CCC[N@@H+](Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161107517 377157008 /nfs/dbraw/zinc/15/70/08/377157008.db2.gz PLWZZRRWUIJSHZ-CYBMUJFWSA-N 1 2 283.393 1.791 20 70 CDIDLO CC(C)COC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000159968757 292775018 /nfs/dbraw/zinc/77/50/18/292775018.db2.gz PULMZMFAIMNZRO-UHFFFAOYSA-N 1 2 284.400 1.823 20 70 CDIDLO CC[N@H+](CC(=O)N(C)CC1CC1)Cc1cnn(C)c1 ZINC000161130606 520303453 /nfs/dbraw/zinc/30/34/53/520303453.db2.gz CAMWHGKSLFGBIB-UHFFFAOYSA-N 1 2 264.373 1.110 20 70 CDIDLO CC[N@@H+](CC(=O)N(C)CC1CC1)Cc1cnn(C)c1 ZINC000161130606 520303467 /nfs/dbraw/zinc/30/34/67/520303467.db2.gz CAMWHGKSLFGBIB-UHFFFAOYSA-N 1 2 264.373 1.110 20 70 CDIDLO CN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161103469 522533809 /nfs/dbraw/zinc/53/38/09/522533809.db2.gz KTBCLXZTPKGZMY-NSHDSACASA-N 1 2 293.367 1.246 20 70 CDIDLO O=C(NCCCOC1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161018058 527682171 /nfs/dbraw/zinc/68/21/71/527682171.db2.gz UUKKYHRPLGPDDP-CYBMUJFWSA-N 1 2 291.395 1.911 20 70 CDIDLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159637089 361754912 /nfs/dbraw/zinc/75/49/12/361754912.db2.gz CVOGBPQMCIYERK-GOEBONIOSA-N 1 2 274.364 1.424 20 70 CDIDLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159637089 361754915 /nfs/dbraw/zinc/75/49/15/361754915.db2.gz CVOGBPQMCIYERK-GOEBONIOSA-N 1 2 274.364 1.424 20 70 CDIDLO CC(C)[C@H]1C(=O)NCCN1Cc1c[nH+]c2ccccn12 ZINC000159693830 539114598 /nfs/dbraw/zinc/11/45/98/539114598.db2.gz KCPZZJFJUSHCGY-AWEZNQCLSA-N 1 2 272.352 1.291 20 70 CDIDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cnc2ccccn12 ZINC000159693830 539114599 /nfs/dbraw/zinc/11/45/99/539114599.db2.gz KCPZZJFJUSHCGY-AWEZNQCLSA-N 1 2 272.352 1.291 20 70 CDIDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cnc2ccccn12 ZINC000159693830 539114600 /nfs/dbraw/zinc/11/46/00/539114600.db2.gz KCPZZJFJUSHCGY-AWEZNQCLSA-N 1 2 272.352 1.291 20 70 CDIDLO CC(C)(C)c1cnc(C[NH+]2CCC(OCCO)CC2)o1 ZINC000160433475 362424722 /nfs/dbraw/zinc/42/47/22/362424722.db2.gz DQALQRZQBFDKTD-UHFFFAOYSA-N 1 2 282.384 1.945 20 70 CDIDLO CCOC(=O)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000160468080 346142493 /nfs/dbraw/zinc/14/24/93/346142493.db2.gz ROVFFIPPVTWEMM-LLVKDONJSA-N 1 2 267.329 1.121 20 70 CDIDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1cccnc1 ZINC000159458987 364211325 /nfs/dbraw/zinc/21/13/25/364211325.db2.gz WTSAHZKFTAMIIC-GXTWGEPZSA-N 1 2 277.368 1.197 20 70 CDIDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)Cc1cccnc1 ZINC000159458987 364211330 /nfs/dbraw/zinc/21/13/30/364211330.db2.gz WTSAHZKFTAMIIC-GXTWGEPZSA-N 1 2 277.368 1.197 20 70 CDIDLO CCCOC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000160097709 364305003 /nfs/dbraw/zinc/30/50/03/364305003.db2.gz SFCPRCMTGVJSFH-NSHDSACASA-N 1 2 253.346 1.584 20 70 CDIDLO CCCOC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000160097709 364305008 /nfs/dbraw/zinc/30/50/08/364305008.db2.gz SFCPRCMTGVJSFH-NSHDSACASA-N 1 2 253.346 1.584 20 70 CDIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000161176445 364459362 /nfs/dbraw/zinc/45/93/62/364459362.db2.gz YCVXRALJZGURIK-STQMWFEESA-N 1 2 294.420 1.297 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@H+](CCO)Cc2ccccc2)n1 ZINC000160834293 364417060 /nfs/dbraw/zinc/41/70/60/364417060.db2.gz PVVXUXFZBIYFLH-UHFFFAOYSA-N 1 2 287.363 1.739 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@@H+](CCO)Cc2ccccc2)n1 ZINC000160834293 364417066 /nfs/dbraw/zinc/41/70/66/364417066.db2.gz PVVXUXFZBIYFLH-UHFFFAOYSA-N 1 2 287.363 1.739 20 70 CDIDLO O=C(NC[C@@H](O)C1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161302529 377185328 /nfs/dbraw/zinc/18/53/28/377185328.db2.gz NLUIQLAWUUYPQS-UONOGXRCSA-N 1 2 291.395 1.503 20 70 CDIDLO O=C(/C=C\c1ccc2c(c1)OCO2)NCc1[nH]cc[nH+]1 ZINC000216998295 280088352 /nfs/dbraw/zinc/08/83/52/280088352.db2.gz AIBHJZPQFMZBKK-RQOWECAXSA-N 1 2 271.276 1.468 20 70 CDIDLO Cc1ncccc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161026567 292798512 /nfs/dbraw/zinc/79/85/12/292798512.db2.gz MHAOTTPCYTYXIW-HNNXBMFYSA-N 1 2 289.379 1.213 20 70 CDIDLO CCN(Cc1c[nH+]c2ccccn12)[C@@H](C)CS(C)(=O)=O ZINC000160385398 521436272 /nfs/dbraw/zinc/43/62/72/521436272.db2.gz VAYOXZQLTXODCK-LBPRGKRZSA-N 1 2 295.408 1.589 20 70 CDIDLO O=C(Nc1nnc2ccccn21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159687527 361780829 /nfs/dbraw/zinc/78/08/29/361780829.db2.gz HEQUZAZWWYGQDC-SNVBAGLBSA-N 1 2 282.307 1.127 20 70 CDIDLO C[C@@H](CNC(=O)CCC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000160152904 345610938 /nfs/dbraw/zinc/61/09/38/345610938.db2.gz UFJPBTHRTWKOLH-ZDUSSCGKSA-N 1 2 269.433 1.565 20 70 CDIDLO CCc1nnc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)[nH]1 ZINC000160242914 345748579 /nfs/dbraw/zinc/74/85/79/345748579.db2.gz SUXWIXASCXMASE-LLVKDONJSA-N 1 2 294.399 1.778 20 70 CDIDLO CCc1nnc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)[nH]1 ZINC000160242914 345748582 /nfs/dbraw/zinc/74/85/82/345748582.db2.gz SUXWIXASCXMASE-LLVKDONJSA-N 1 2 294.399 1.778 20 70 CDIDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(F)F ZINC000218688251 358053798 /nfs/dbraw/zinc/05/37/98/358053798.db2.gz ULBLPVXIBKKGRQ-UHFFFAOYSA-N 1 2 284.306 1.400 20 70 CDIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000159417108 361699757 /nfs/dbraw/zinc/69/97/57/361699757.db2.gz XBIGVZXRQRNEKR-LBPRGKRZSA-N 1 2 297.399 1.208 20 70 CDIDLO O=C(NCc1cn2ccccc2[nH+]1)NO[C@H]1CCCCO1 ZINC000161301302 364476358 /nfs/dbraw/zinc/47/63/58/364476358.db2.gz SPRDGFANABTQNT-ZDUSSCGKSA-N 1 2 290.323 1.592 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1ccc(OC)cc1OC ZINC000218231698 367261069 /nfs/dbraw/zinc/26/10/69/367261069.db2.gz NSVBYSDQDHCSGL-UHFFFAOYSA-N 1 2 276.340 1.605 20 70 CDIDLO CCc1noc([C@H](C)SCC[NH+]2CCOCC2)n1 ZINC000159787369 361849822 /nfs/dbraw/zinc/84/98/22/361849822.db2.gz LFPOXTLGJNPNOA-JTQLQIEISA-N 1 2 271.386 1.758 20 70 CDIDLO Cn1cnnc1C[N@H+](C)CCOc1ccccc1F ZINC000160721074 529928189 /nfs/dbraw/zinc/92/81/89/529928189.db2.gz DBBSBDCLFUFCKT-UHFFFAOYSA-N 1 2 264.304 1.465 20 70 CDIDLO Cn1cnnc1C[N@@H+](C)CCOc1ccccc1F ZINC000160721074 529928190 /nfs/dbraw/zinc/92/81/90/529928190.db2.gz DBBSBDCLFUFCKT-UHFFFAOYSA-N 1 2 264.304 1.465 20 70 CDIDLO CCn1cc[nH+]c1CN1CCN(c2ccccn2)CC1 ZINC000160680163 362467590 /nfs/dbraw/zinc/46/75/90/362467590.db2.gz IRTUEGGPNIKUDL-UHFFFAOYSA-N 1 2 271.368 1.620 20 70 CDIDLO CCn1cc[nH+]c1CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000160735099 360855802 /nfs/dbraw/zinc/85/58/02/360855802.db2.gz SRMHDFKGQMNRFK-UHFFFAOYSA-N 1 2 294.399 1.956 20 70 CDIDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O)c1 ZINC000159542172 364230263 /nfs/dbraw/zinc/23/02/63/364230263.db2.gz MWVWIHAJGCIIJT-QWRGUYRKSA-N 1 2 278.352 1.529 20 70 CDIDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)c1 ZINC000159542172 364230275 /nfs/dbraw/zinc/23/02/75/364230275.db2.gz MWVWIHAJGCIIJT-QWRGUYRKSA-N 1 2 278.352 1.529 20 70 CDIDLO Nn1c(SCCn2cc[nH+]c2)nnc1[C@@H]1CCCCO1 ZINC000160159083 364312831 /nfs/dbraw/zinc/31/28/31/364312831.db2.gz KFHZCYHOCSDIBC-JTQLQIEISA-N 1 2 294.384 1.222 20 70 CDIDLO Cc1ncsc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161027729 364440141 /nfs/dbraw/zinc/44/01/41/364440141.db2.gz WAUAEZLDXXRTKM-GFCCVEGCSA-N 1 2 295.408 1.275 20 70 CDIDLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCCNC1=O ZINC000160299093 364651380 /nfs/dbraw/zinc/65/13/80/364651380.db2.gz RIEARCAWYNVIHB-VXGBXAGGSA-N 1 2 270.373 1.319 20 70 CDIDLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000160299093 364651386 /nfs/dbraw/zinc/65/13/86/364651386.db2.gz RIEARCAWYNVIHB-VXGBXAGGSA-N 1 2 270.373 1.319 20 70 CDIDLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCCNC1=O ZINC000160299242 364652062 /nfs/dbraw/zinc/65/20/62/364652062.db2.gz RIEARCAWYNVIHB-NWDGAFQWSA-N 1 2 270.373 1.319 20 70 CDIDLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000160299242 364652065 /nfs/dbraw/zinc/65/20/65/364652065.db2.gz RIEARCAWYNVIHB-NWDGAFQWSA-N 1 2 270.373 1.319 20 70 CDIDLO CCn1ccnc1C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000160802370 377120817 /nfs/dbraw/zinc/12/08/17/377120817.db2.gz COXCKLKWZLWKOP-LBPRGKRZSA-N 1 2 250.346 1.004 20 70 CDIDLO CCn1ccnc1C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000160802370 377120829 /nfs/dbraw/zinc/12/08/29/377120829.db2.gz COXCKLKWZLWKOP-LBPRGKRZSA-N 1 2 250.346 1.004 20 70 CDIDLO CC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160189597 292779933 /nfs/dbraw/zinc/77/99/33/292779933.db2.gz NYVAYLCPINTMEN-UHFFFAOYSA-N 1 2 259.353 1.526 20 70 CDIDLO C[C@H](O)[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000160894333 292796064 /nfs/dbraw/zinc/79/60/64/292796064.db2.gz PIKKFTZHZBIQIS-QWHCGFSZSA-N 1 2 280.372 1.076 20 70 CDIDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161116541 362675205 /nfs/dbraw/zinc/67/52/05/362675205.db2.gz KRFNNXDTTOIZFJ-GFCCVEGCSA-N 1 2 280.416 1.935 20 70 CDIDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161116541 362675212 /nfs/dbraw/zinc/67/52/12/362675212.db2.gz KRFNNXDTTOIZFJ-GFCCVEGCSA-N 1 2 280.416 1.935 20 70 CDIDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000159636578 363091569 /nfs/dbraw/zinc/09/15/69/363091569.db2.gz DQWHNGKEGYLFFH-CQSZACIVSA-N 1 2 286.379 1.975 20 70 CDIDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000159636578 363091575 /nfs/dbraw/zinc/09/15/75/363091575.db2.gz DQWHNGKEGYLFFH-CQSZACIVSA-N 1 2 286.379 1.975 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000160313117 363812483 /nfs/dbraw/zinc/81/24/83/363812483.db2.gz RCEWZLYTDGNCNS-JTQLQIEISA-N 1 2 288.269 1.877 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000160313117 363812492 /nfs/dbraw/zinc/81/24/92/363812492.db2.gz RCEWZLYTDGNCNS-JTQLQIEISA-N 1 2 288.269 1.877 20 70 CDIDLO COC(=O)C1(N(C)Cc2c[nH+]cn2C)CCCC1 ZINC000159497390 364220689 /nfs/dbraw/zinc/22/06/89/364220689.db2.gz DJZJJSBHLGYIQF-UHFFFAOYSA-N 1 2 251.330 1.338 20 70 CDIDLO Cn1cccc1C(=O)CSCC[NH+]1CCOCC1 ZINC000159922086 364280787 /nfs/dbraw/zinc/28/07/87/364280787.db2.gz BKUAVNBMWADVDE-UHFFFAOYSA-N 1 2 268.382 1.273 20 70 CDIDLO CC(C)(C)[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)C(N)=O ZINC000160873094 364422265 /nfs/dbraw/zinc/42/22/65/364422265.db2.gz KLQUBEMCFRJGEU-SNVBAGLBSA-N 1 2 294.380 1.788 20 70 CDIDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCOC[C@@H]1C1CC1 ZINC000161317002 377558314 /nfs/dbraw/zinc/55/83/14/377558314.db2.gz VTQHFWNNYZLUFL-GXTWGEPZSA-N 1 2 275.352 1.083 20 70 CDIDLO CCCCCNC(=O)CSCC[NH+]1CCOCC1 ZINC000159962225 292774343 /nfs/dbraw/zinc/77/43/43/292774343.db2.gz YDFBGGNIVLCJBL-UHFFFAOYSA-N 1 2 274.430 1.358 20 70 CDIDLO COc1cccc(N2CC[NH+](Cc3cncnc3)CC2)c1 ZINC000160681194 539116244 /nfs/dbraw/zinc/11/62/44/539116244.db2.gz HUTLSYBLRZFBTA-UHFFFAOYSA-N 1 2 284.363 1.807 20 70 CDIDLO C[C@H](O)[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000160894597 362200993 /nfs/dbraw/zinc/20/09/93/362200993.db2.gz PIKKFTZHZBIQIS-STQMWFEESA-N 1 2 280.372 1.076 20 70 CDIDLO CC[N@H+](CC(=O)NCC1CCCCC1)Cc1cnn(C)c1 ZINC000161079667 362561582 /nfs/dbraw/zinc/56/15/82/362561582.db2.gz NMSXMAGVCQSBQP-UHFFFAOYSA-N 1 2 292.427 1.939 20 70 CDIDLO CC[N@@H+](CC(=O)NCC1CCCCC1)Cc1cnn(C)c1 ZINC000161079667 362561593 /nfs/dbraw/zinc/56/15/93/362561593.db2.gz NMSXMAGVCQSBQP-UHFFFAOYSA-N 1 2 292.427 1.939 20 70 CDIDLO CCCCN(CC)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161095098 362587067 /nfs/dbraw/zinc/58/70/67/362587067.db2.gz KFSOMDOBAJYOHQ-UHFFFAOYSA-N 1 2 280.416 1.891 20 70 CDIDLO CCCCN(CC)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161095098 362587068 /nfs/dbraw/zinc/58/70/68/362587068.db2.gz KFSOMDOBAJYOHQ-UHFFFAOYSA-N 1 2 280.416 1.891 20 70 CDIDLO c1cn(CCSc2nnc3n2CCCCC3)c[nH+]1 ZINC000159523408 364227113 /nfs/dbraw/zinc/22/71/13/364227113.db2.gz PBYVHOWVVLLVMT-UHFFFAOYSA-N 1 2 263.370 1.993 20 70 CDIDLO COc1ccnc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000161445150 373752639 /nfs/dbraw/zinc/75/26/39/373752639.db2.gz OGXGUUFJIWBELK-JTQLQIEISA-N 1 2 272.308 1.488 20 70 CDIDLO CO[C@H](C)c1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161481370 373761187 /nfs/dbraw/zinc/76/11/87/373761187.db2.gz WAPLBMWCBVTOIE-SECBINFHSA-N 1 2 257.359 1.716 20 70 CDIDLO CO[C@H](C)c1noc(C[N@H+]2CCCSCC2)n1 ZINC000161481370 373761194 /nfs/dbraw/zinc/76/11/94/373761194.db2.gz WAPLBMWCBVTOIE-SECBINFHSA-N 1 2 257.359 1.716 20 70 CDIDLO COC(=O)C1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000160681802 391564866 /nfs/dbraw/zinc/56/48/66/391564866.db2.gz HKPDGULOKQUTPU-UHFFFAOYSA-N 1 2 265.357 1.849 20 70 CDIDLO C[C@@H]1CC(NC(=O)NCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000159710898 292766902 /nfs/dbraw/zinc/76/69/02/292766902.db2.gz XMZZGDJNCFZDJB-GHMZBOCLSA-N 1 2 266.345 1.138 20 70 CDIDLO COc1ccc(CS(=O)(=O)Cc2[nH+]ccn2C)cc1F ZINC000161177045 524122588 /nfs/dbraw/zinc/12/25/88/524122588.db2.gz QNJKVCWZANCBKR-UHFFFAOYSA-N 1 2 298.339 1.683 20 70 CDIDLO CCOC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2CC)C1 ZINC000160794085 362175259 /nfs/dbraw/zinc/17/52/59/362175259.db2.gz BZXJGOGNVDVHAA-LBPRGKRZSA-N 1 2 280.372 1.614 20 70 CDIDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2nccn2CC)C1 ZINC000160794085 362175266 /nfs/dbraw/zinc/17/52/66/362175266.db2.gz BZXJGOGNVDVHAA-LBPRGKRZSA-N 1 2 280.372 1.614 20 70 CDIDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nccn2CC)C1 ZINC000160794085 362175272 /nfs/dbraw/zinc/17/52/72/362175272.db2.gz BZXJGOGNVDVHAA-LBPRGKRZSA-N 1 2 280.372 1.614 20 70 CDIDLO CCN(CCCO)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000160482442 188475500 /nfs/dbraw/zinc/47/55/00/188475500.db2.gz MNKVITCYGHFDCK-UHFFFAOYSA-N 1 2 274.324 1.112 20 70 CDIDLO Cc1cncc(/C=C/C(=O)NCCn2cc[nH+]c2)c1 ZINC000160023090 363592939 /nfs/dbraw/zinc/59/29/39/363592939.db2.gz NGWPDYSYKLOLGE-NSCUHMNNSA-N 1 2 256.309 1.416 20 70 CDIDLO CC[N@H+](Cc1nncn1C)Cc1ccc2c(c1)OCO2 ZINC000160740272 360866285 /nfs/dbraw/zinc/86/62/85/360866285.db2.gz JEAJJQHLJFYMKW-UHFFFAOYSA-N 1 2 274.324 1.566 20 70 CDIDLO CC[N@@H+](Cc1nncn1C)Cc1ccc2c(c1)OCO2 ZINC000160740272 360866287 /nfs/dbraw/zinc/86/62/87/360866287.db2.gz JEAJJQHLJFYMKW-UHFFFAOYSA-N 1 2 274.324 1.566 20 70 CDIDLO CC[N@H+](CC(=O)N(CC(C)C)C1CC1)Cc1cnn(C)c1 ZINC000161127236 284381911 /nfs/dbraw/zinc/38/19/11/284381911.db2.gz BZWNJAKZIYEBKU-UHFFFAOYSA-N 1 2 292.427 1.889 20 70 CDIDLO CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)Cc1cnn(C)c1 ZINC000161127236 284381912 /nfs/dbraw/zinc/38/19/12/284381912.db2.gz BZWNJAKZIYEBKU-UHFFFAOYSA-N 1 2 292.427 1.889 20 70 CDIDLO O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161302423 377185219 /nfs/dbraw/zinc/18/52/19/377185219.db2.gz NLUIQLAWUUYPQS-ZIAGYGMSSA-N 1 2 291.395 1.503 20 70 CDIDLO CCc1nc(CSCC[NH+]2CCOCC2)no1 ZINC000159892019 361899863 /nfs/dbraw/zinc/89/98/63/361899863.db2.gz FAXSUBOMOGQZFO-UHFFFAOYSA-N 1 2 257.359 1.197 20 70 CDIDLO C[C@@H](NC(=O)NC1(C)CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000160850415 362186171 /nfs/dbraw/zinc/18/61/71/362186171.db2.gz VNHDIFIMHWMZHA-VXGBXAGGSA-N 1 2 269.389 1.337 20 70 CDIDLO COC(=O)C1([N@H+](C)CC(=O)N2CCCCC2)CCCC1 ZINC000159371641 362316412 /nfs/dbraw/zinc/31/64/12/362316412.db2.gz MWSOMJMZPMWBJS-UHFFFAOYSA-N 1 2 282.384 1.417 20 70 CDIDLO COC(=O)C1([N@@H+](C)CC(=O)N2CCCCC2)CCCC1 ZINC000159371641 362316415 /nfs/dbraw/zinc/31/64/15/362316415.db2.gz MWSOMJMZPMWBJS-UHFFFAOYSA-N 1 2 282.384 1.417 20 70 CDIDLO CCOCCN(CC)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159608186 363053313 /nfs/dbraw/zinc/05/33/13/363053313.db2.gz IXKRXSICPDKPAP-UHFFFAOYSA-N 1 2 281.404 1.924 20 70 CDIDLO CCOCCN(CC)c1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000159608186 363053318 /nfs/dbraw/zinc/05/33/18/363053318.db2.gz IXKRXSICPDKPAP-UHFFFAOYSA-N 1 2 281.404 1.924 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000160366743 363827653 /nfs/dbraw/zinc/82/76/53/363827653.db2.gz DLAIMBGMGHOSDW-LLVKDONJSA-N 1 2 265.382 1.860 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000160366743 363827660 /nfs/dbraw/zinc/82/76/60/363827660.db2.gz DLAIMBGMGHOSDW-LLVKDONJSA-N 1 2 265.382 1.860 20 70 CDIDLO C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000161408966 373563816 /nfs/dbraw/zinc/56/38/16/373563816.db2.gz CQTABNOBLFCCPU-WDEREUQCSA-N 1 2 265.382 1.409 20 70 CDIDLO CC[C@H](NC(=O)c1c[nH]c(C)cc1=O)c1[nH]cc[nH+]1 ZINC000218083784 373739248 /nfs/dbraw/zinc/73/92/48/373739248.db2.gz BJPQFTAKHFHANA-JTQLQIEISA-N 1 2 260.297 1.288 20 70 CDIDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc2c(c1)OCO2 ZINC000160458199 523900044 /nfs/dbraw/zinc/90/00/44/523900044.db2.gz JZHACUTZZFAAGD-LLVKDONJSA-N 1 2 299.330 1.837 20 70 CDIDLO O=C(NC[C@@H]1Cc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000160115798 539115433 /nfs/dbraw/zinc/11/54/33/539115433.db2.gz VGOLRPQOYJUWEU-KBPBESRZSA-N 1 2 281.359 1.902 20 70 CDIDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000159492634 361719301 /nfs/dbraw/zinc/71/93/01/361719301.db2.gz USASIQSFBUADAJ-PWSUYJOCSA-N 1 2 281.356 1.899 20 70 CDIDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000159492634 361719306 /nfs/dbraw/zinc/71/93/06/361719306.db2.gz USASIQSFBUADAJ-PWSUYJOCSA-N 1 2 281.356 1.899 20 70 CDIDLO CCCC1(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC000160317800 363814166 /nfs/dbraw/zinc/81/41/66/363814166.db2.gz YNTAEXPROCUNPX-AWEZNQCLSA-N 1 2 297.443 1.977 20 70 CDIDLO O=C(NC[C@@H]1CCCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160482956 363932493 /nfs/dbraw/zinc/93/24/93/363932493.db2.gz OMVOSNUYBYQNOP-RYUDHWBXSA-N 1 2 263.341 1.131 20 70 CDIDLO Cc1ccc(C(=O)CC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1 ZINC000160175083 364313697 /nfs/dbraw/zinc/31/36/97/364313697.db2.gz SFWDDKRWKXKUCE-DOMZBBRYSA-N 1 2 290.363 1.142 20 70 CDIDLO Cc1ccc(C(=O)CC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1 ZINC000160175083 364313705 /nfs/dbraw/zinc/31/37/05/364313705.db2.gz SFWDDKRWKXKUCE-DOMZBBRYSA-N 1 2 290.363 1.142 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000218231470 368795149 /nfs/dbraw/zinc/79/51/49/368795149.db2.gz SZRUQYZJYUNCDB-UHFFFAOYSA-N 1 2 276.340 1.605 20 70 CDIDLO CC[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1c(C)noc1C ZINC000160373735 391509198 /nfs/dbraw/zinc/50/91/98/391509198.db2.gz BZTIZIYIPBSEKQ-NEPJUHHUSA-N 1 2 281.356 1.189 20 70 CDIDLO CC[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1c(C)noc1C ZINC000160373735 391509201 /nfs/dbraw/zinc/50/92/01/391509201.db2.gz BZTIZIYIPBSEKQ-NEPJUHHUSA-N 1 2 281.356 1.189 20 70 CDIDLO CCCN(CCC)C(=O)CSCC[NH+]1CCOCC1 ZINC000159792879 292769560 /nfs/dbraw/zinc/76/95/60/292769560.db2.gz ZAGUBQRELMJRBM-UHFFFAOYSA-N 1 2 288.457 1.700 20 70 CDIDLO COC(=O)CCN(C[C@H]1CCCO1)c1cc[nH+]c(C)n1 ZINC000161238291 292802620 /nfs/dbraw/zinc/80/26/20/292802620.db2.gz VBJSLHLXQSPZRZ-GFCCVEGCSA-N 1 2 279.340 1.334 20 70 CDIDLO CC1(C)C[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160627755 520562980 /nfs/dbraw/zinc/56/29/80/520562980.db2.gz GPOVTZDWXCJVCE-SWLSCSKDSA-N 1 2 298.452 1.357 20 70 CDIDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000159571295 361740713 /nfs/dbraw/zinc/74/07/13/361740713.db2.gz KMBPMVDYBSHEOB-QWRGUYRKSA-N 1 2 278.352 1.529 20 70 CDIDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O ZINC000159571295 361740715 /nfs/dbraw/zinc/74/07/15/361740715.db2.gz KMBPMVDYBSHEOB-QWRGUYRKSA-N 1 2 278.352 1.529 20 70 CDIDLO CCCCSCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159906434 361927813 /nfs/dbraw/zinc/92/78/13/361927813.db2.gz ZTBWJIDJGNJBKY-ZDUSSCGKSA-N 1 2 288.457 1.747 20 70 CDIDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](CO)CC(C)C ZINC000160835045 362182385 /nfs/dbraw/zinc/18/23/85/362182385.db2.gz NBWBMCJFJMCMCR-BTDICHCPSA-N 1 2 265.357 1.439 20 70 CDIDLO Cc1ccc(Cl)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000160553098 362444691 /nfs/dbraw/zinc/44/46/91/362444691.db2.gz JBZPOHXUJKRICA-UHFFFAOYSA-N 1 2 282.771 1.399 20 70 CDIDLO CCOc1ccccc1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161218133 188515702 /nfs/dbraw/zinc/51/57/02/188515702.db2.gz UDDZDIBAIARUMP-UHFFFAOYSA-N 1 2 292.379 1.871 20 70 CDIDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nncn1C ZINC000160707212 360823641 /nfs/dbraw/zinc/82/36/41/360823641.db2.gz XMWIKWXNXOLWRL-LBPRGKRZSA-N 1 2 297.366 1.589 20 70 CDIDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nncn1C ZINC000160707212 360823646 /nfs/dbraw/zinc/82/36/46/360823646.db2.gz XMWIKWXNXOLWRL-LBPRGKRZSA-N 1 2 297.366 1.589 20 70 CDIDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc(Cl)c1OC ZINC000160326890 363816657 /nfs/dbraw/zinc/81/66/57/363816657.db2.gz OOVIWLWPTTVSBN-LLVKDONJSA-N 1 2 298.770 1.807 20 70 CDIDLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)cc(Cl)c1OC ZINC000160326890 363816663 /nfs/dbraw/zinc/81/66/63/363816663.db2.gz OOVIWLWPTTVSBN-LLVKDONJSA-N 1 2 298.770 1.807 20 70 CDIDLO CCC1(CO)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000160731954 364401299 /nfs/dbraw/zinc/40/12/99/364401299.db2.gz JFNXVYKWUDZZON-UHFFFAOYSA-N 1 2 280.372 1.077 20 70 CDIDLO C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccccc1 ZINC000159534322 533139903 /nfs/dbraw/zinc/13/99/03/533139903.db2.gz ITUDJDWGCOEZSV-YUELXQCFSA-N 1 2 289.379 1.472 20 70 CDIDLO C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccccc1 ZINC000159534322 533139907 /nfs/dbraw/zinc/13/99/07/533139907.db2.gz ITUDJDWGCOEZSV-YUELXQCFSA-N 1 2 289.379 1.472 20 70 CDIDLO COc1ccccc1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000216998777 391251687 /nfs/dbraw/zinc/25/16/87/391251687.db2.gz CJMYLRWZVCRYHT-SREVYHEPSA-N 1 2 257.293 1.748 20 70 CDIDLO CC(C)(C)c1noc(C[NH+]2CCC(OCCO)CC2)n1 ZINC000160433793 519134975 /nfs/dbraw/zinc/13/49/75/519134975.db2.gz WIIWVRUVXYCRSY-UHFFFAOYSA-N 1 2 283.372 1.340 20 70 CDIDLO Cc1cccnc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161435476 525519342 /nfs/dbraw/zinc/51/93/42/525519342.db2.gz WLWKGMPIDLZDEC-GFCCVEGCSA-N 1 2 270.336 1.465 20 70 CDIDLO O=C(Nc1cnc(C2CC2)nc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161375089 539117616 /nfs/dbraw/zinc/11/76/16/539117616.db2.gz PWFUUYRAXAPYIM-NSHDSACASA-N 1 2 283.335 1.752 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161117128 362675165 /nfs/dbraw/zinc/67/51/65/362675165.db2.gz QGWSUXZDRSGDPV-STQMWFEESA-N 1 2 280.416 1.935 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161117128 362675170 /nfs/dbraw/zinc/67/51/70/362675170.db2.gz QGWSUXZDRSGDPV-STQMWFEESA-N 1 2 280.416 1.935 20 70 CDIDLO Cc1cccc(CS(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161170677 358789897 /nfs/dbraw/zinc/78/98/97/358789897.db2.gz VYAGRPNGXQYKAJ-UHFFFAOYSA-N 1 2 264.350 1.844 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000160374611 363835518 /nfs/dbraw/zinc/83/55/18/363835518.db2.gz WLHSMYHLNIMFJV-GFCCVEGCSA-N 1 2 288.376 1.655 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000160374611 363835524 /nfs/dbraw/zinc/83/55/24/363835524.db2.gz WLHSMYHLNIMFJV-GFCCVEGCSA-N 1 2 288.376 1.655 20 70 CDIDLO COCC(C)(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000159494402 364218466 /nfs/dbraw/zinc/21/84/66/364218466.db2.gz SAKMBIQQRDCINJ-UHFFFAOYSA-N 1 2 261.325 1.623 20 70 CDIDLO Cn1ncc2c1nc[nH+]c2N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160033194 364296802 /nfs/dbraw/zinc/29/68/02/364296802.db2.gz OYNYVQGWKNOEEB-DLOVCJGASA-N 1 2 285.351 1.733 20 70 CDIDLO CCc1ncsc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000160605156 364380375 /nfs/dbraw/zinc/38/03/75/364380375.db2.gz KSIDPAVHTKSUEB-JTQLQIEISA-N 1 2 278.381 1.968 20 70 CDIDLO CCc1nnc([C@@H](C)SCC[NH+]2CCOCC2)o1 ZINC000160066369 376999761 /nfs/dbraw/zinc/99/97/61/376999761.db2.gz KBBJECOXCJNULQ-SNVBAGLBSA-N 1 2 271.386 1.758 20 70 CDIDLO O=C(NC[C@H](O)C1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161302302 377185391 /nfs/dbraw/zinc/18/53/91/377185391.db2.gz NLUIQLAWUUYPQS-KBPBESRZSA-N 1 2 291.395 1.503 20 70 CDIDLO CC1(O)CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000161190798 539117338 /nfs/dbraw/zinc/11/73/38/539117338.db2.gz KYUJJTNKRZZJDK-UHFFFAOYSA-N 1 2 287.367 1.068 20 70 CDIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C(=O)OC)o1 ZINC000161073719 362565195 /nfs/dbraw/zinc/56/51/95/362565195.db2.gz SDLPFSSWAMTLQZ-UHFFFAOYSA-N 1 2 277.324 1.822 20 70 CDIDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C(=O)OC)o1 ZINC000161073719 362565199 /nfs/dbraw/zinc/56/51/99/362565199.db2.gz SDLPFSSWAMTLQZ-UHFFFAOYSA-N 1 2 277.324 1.822 20 70 CDIDLO CC[N@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1cnn(C)c1 ZINC000161092044 362585510 /nfs/dbraw/zinc/58/55/10/362585510.db2.gz MEHDFSLQYZYDAW-OKILXGFUSA-N 1 2 292.427 1.747 20 70 CDIDLO CC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)Cc1cnn(C)c1 ZINC000161092044 362585513 /nfs/dbraw/zinc/58/55/13/362585513.db2.gz MEHDFSLQYZYDAW-OKILXGFUSA-N 1 2 292.427 1.747 20 70 CDIDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000160111355 363671191 /nfs/dbraw/zinc/67/11/91/363671191.db2.gz JAFHYFXQIDNBLO-KBPBESRZSA-N 1 2 297.443 1.624 20 70 CDIDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000160111355 363671196 /nfs/dbraw/zinc/67/11/96/363671196.db2.gz JAFHYFXQIDNBLO-KBPBESRZSA-N 1 2 297.443 1.624 20 70 CDIDLO CCNC(=O)C[N@H+](CC)Cc1cc(C(=O)OC)c(C)o1 ZINC000160099870 364305884 /nfs/dbraw/zinc/30/58/84/364305884.db2.gz ZOQCZXTUKARBQL-UHFFFAOYSA-N 1 2 282.340 1.333 20 70 CDIDLO CCNC(=O)C[N@@H+](CC)Cc1cc(C(=O)OC)c(C)o1 ZINC000160099870 364305889 /nfs/dbraw/zinc/30/58/89/364305889.db2.gz ZOQCZXTUKARBQL-UHFFFAOYSA-N 1 2 282.340 1.333 20 70 CDIDLO Cn1nccc1/C=C/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161341753 364480568 /nfs/dbraw/zinc/48/05/68/364480568.db2.gz HCKYNEGWXBGFRP-URWSZGRFSA-N 1 2 297.362 1.223 20 70 CDIDLO COCCN(CC(F)F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161394844 292465667 /nfs/dbraw/zinc/46/56/67/292465667.db2.gz ISZONNMBYDEELB-JTQLQIEISA-N 1 2 287.310 1.186 20 70 CDIDLO Cc1noc(C)c1N(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160159145 539115464 /nfs/dbraw/zinc/11/54/64/539115464.db2.gz WQELUMOMJRCYEV-SECBINFHSA-N 1 2 277.328 1.722 20 70 CDIDLO CC[N@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cnn(C)c1 ZINC000161099363 362588349 /nfs/dbraw/zinc/58/83/49/362588349.db2.gz HITDILKPJBZDNT-ZDUSSCGKSA-N 1 2 278.400 1.501 20 70 CDIDLO CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cnn(C)c1 ZINC000161099363 362588350 /nfs/dbraw/zinc/58/83/50/362588350.db2.gz HITDILKPJBZDNT-ZDUSSCGKSA-N 1 2 278.400 1.501 20 70 CDIDLO C[C@@H](O)[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000160894717 292796219 /nfs/dbraw/zinc/79/62/19/292796219.db2.gz PIKKFTZHZBIQIS-OLZOCXBDSA-N 1 2 280.372 1.076 20 70 CDIDLO CCCn1nccc1C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000160083928 482780388 /nfs/dbraw/zinc/78/03/88/482780388.db2.gz NEAUNVGLPKIZQH-LLVKDONJSA-N 1 2 274.372 1.682 20 70 CDIDLO CC(C)c1nc(N(C)C[C@@H]2CCCOC2)nc(N(C)C)[nH+]1 ZINC000159615635 539114489 /nfs/dbraw/zinc/11/44/89/539114489.db2.gz QJIGLJQGIVVCAL-LBPRGKRZSA-N 1 2 293.415 1.924 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N(C)C[C@@H]2CCCOC2)[nH+]1 ZINC000159615635 539114490 /nfs/dbraw/zinc/11/44/90/539114490.db2.gz QJIGLJQGIVVCAL-LBPRGKRZSA-N 1 2 293.415 1.924 20 70 CDIDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)ncn1 ZINC000161292055 539117456 /nfs/dbraw/zinc/11/74/56/539117456.db2.gz GMOPMAATPMQXRA-UHFFFAOYSA-N 1 2 297.362 1.138 20 70 CDIDLO CC(C)=CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000160845878 362184088 /nfs/dbraw/zinc/18/40/88/362184088.db2.gz YBVDMZALFIATOZ-KGLIPLIRSA-N 1 2 287.425 1.621 20 70 CDIDLO CC(C)=CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000160845878 362184096 /nfs/dbraw/zinc/18/40/96/362184096.db2.gz YBVDMZALFIATOZ-KGLIPLIRSA-N 1 2 287.425 1.621 20 70 CDIDLO CCOC(=O)CN(Cc1[nH+]ccn1C)CC(C)C ZINC000160859709 346645200 /nfs/dbraw/zinc/64/52/00/346645200.db2.gz LLVJQCUXGYWBPJ-UHFFFAOYSA-N 1 2 253.346 1.441 20 70 CDIDLO Cc1cccn2cc(CNC(=O)c3ccc(=O)[nH]c3C)[nH+]c12 ZINC000161500736 237205405 /nfs/dbraw/zinc/20/54/05/237205405.db2.gz HKMRYQUBVCHENI-UHFFFAOYSA-N 1 2 296.330 1.982 20 70 CDIDLO C([C@@H]1CCCN1c1nc(C2CC2)ns1)[NH+]1CCOCC1 ZINC000160387890 391509095 /nfs/dbraw/zinc/50/90/95/391509095.db2.gz CZDYXSDDWOUCRQ-LBPRGKRZSA-N 1 2 294.424 1.717 20 70 CDIDLO CCn1ccnc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000160673891 261222563 /nfs/dbraw/zinc/22/25/63/261222563.db2.gz KBXSYAXWDLAYJF-UHFFFAOYSA-N 1 2 286.379 1.931 20 70 CDIDLO CCn1cc[nH+]c1CN1CCN(c2ccc(O)cc2)CC1 ZINC000160673891 261222565 /nfs/dbraw/zinc/22/25/65/261222565.db2.gz KBXSYAXWDLAYJF-UHFFFAOYSA-N 1 2 286.379 1.931 20 70 CDIDLO CCCc1nc(CS(=O)(=O)Cc2[nH+]ccn2C)cs1 ZINC000161202140 521521728 /nfs/dbraw/zinc/52/17/28/521521728.db2.gz SLROSNNEHOPUEA-UHFFFAOYSA-N 1 2 299.421 1.944 20 70 CDIDLO Cn1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160364202 527269783 /nfs/dbraw/zinc/26/97/83/527269783.db2.gz VNXMBQDCGKPLCU-LLVKDONJSA-N 1 2 286.339 1.216 20 70 CDIDLO O=C(NC[C@@H]1Cc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160115543 539115391 /nfs/dbraw/zinc/11/53/91/539115391.db2.gz VGOLRPQOYJUWEU-KGLIPLIRSA-N 1 2 281.359 1.902 20 70 CDIDLO Cc1[nH+]c2ccccn2c1CN1CCn2cnnc2C1 ZINC000160069060 362015434 /nfs/dbraw/zinc/01/54/34/362015434.db2.gz SIEFUHAVEQPQPP-UHFFFAOYSA-N 1 2 268.324 1.250 20 70 CDIDLO COc1ncccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160075480 362016274 /nfs/dbraw/zinc/01/62/74/362016274.db2.gz ABOWWIKNNZDKJN-JTQLQIEISA-N 1 2 272.308 1.488 20 70 CDIDLO C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H]3C(N)=O)sc2C1 ZINC000160337202 363823735 /nfs/dbraw/zinc/82/37/35/363823735.db2.gz SAUKFDWRIYFLQM-GXSJLCMTSA-N 1 2 279.409 1.718 20 70 CDIDLO C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H]3C(N)=O)sc2C1 ZINC000160337202 363823736 /nfs/dbraw/zinc/82/37/36/363823736.db2.gz SAUKFDWRIYFLQM-GXSJLCMTSA-N 1 2 279.409 1.718 20 70 CDIDLO CCN(CCC(=O)OC)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160508216 363962167 /nfs/dbraw/zinc/96/21/67/363962167.db2.gz GIPNXICROBWBKB-UHFFFAOYSA-N 1 2 295.387 1.450 20 70 CDIDLO C[C@@H]1CC(=O)N(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160564431 364020710 /nfs/dbraw/zinc/02/07/10/364020710.db2.gz URXMGDUSIXZROJ-GFCCVEGCSA-N 1 2 299.415 1.611 20 70 CDIDLO C[C@@H]1CC(=O)N(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160564431 364020716 /nfs/dbraw/zinc/02/07/16/364020716.db2.gz URXMGDUSIXZROJ-GFCCVEGCSA-N 1 2 299.415 1.611 20 70 CDIDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ncn1 ZINC000161394777 377619420 /nfs/dbraw/zinc/61/94/20/377619420.db2.gz CLFMKZRMKPDDMC-UHFFFAOYSA-N 1 2 297.362 1.710 20 70 CDIDLO O=C(NC[C@H]1CCCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160483076 292787522 /nfs/dbraw/zinc/78/75/22/292787522.db2.gz OMVOSNUYBYQNOP-VXGBXAGGSA-N 1 2 263.341 1.131 20 70 CDIDLO CCOC(=O)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000160468208 346142683 /nfs/dbraw/zinc/14/26/83/346142683.db2.gz ROVFFIPPVTWEMM-NSHDSACASA-N 1 2 267.329 1.121 20 70 CDIDLO Cn1c(=O)c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000159878211 364276084 /nfs/dbraw/zinc/27/60/84/364276084.db2.gz WGFYNYACSNRXBZ-GFCCVEGCSA-N 1 2 287.363 1.280 20 70 CDIDLO Cn1c(=O)c2ccccc2nc1C[N@H+]1CCCC[C@@H]1CO ZINC000159878211 364276088 /nfs/dbraw/zinc/27/60/88/364276088.db2.gz WGFYNYACSNRXBZ-GFCCVEGCSA-N 1 2 287.363 1.280 20 70 CDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC3(CC2)OCCO3)n1 ZINC000160733770 364403282 /nfs/dbraw/zinc/40/32/82/364403282.db2.gz WQBZSRGVCHOAEP-UHFFFAOYSA-N 1 2 279.340 1.084 20 70 CDIDLO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000161418089 377227334 /nfs/dbraw/zinc/22/73/34/377227334.db2.gz KCFGSENTLMREAQ-QWRGUYRKSA-N 1 2 266.345 1.039 20 70 CDIDLO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000161418089 377227340 /nfs/dbraw/zinc/22/73/40/377227340.db2.gz KCFGSENTLMREAQ-QWRGUYRKSA-N 1 2 266.345 1.039 20 70 CDIDLO CC[C@]1(C)C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159535836 292761068 /nfs/dbraw/zinc/76/10/68/292761068.db2.gz GTOUUEFXZJBDJZ-IUODEOHRSA-N 1 2 268.401 1.650 20 70 CDIDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160033019 294576077 /nfs/dbraw/zinc/57/60/77/294576077.db2.gz OYNYVQGWKNOEEB-WCQGTBRESA-N 1 2 285.351 1.733 20 70 CDIDLO CCn1ccnc1C[NH+]1CCC(c2noc(C)n2)CC1 ZINC000160891403 523529418 /nfs/dbraw/zinc/52/94/18/523529418.db2.gz JBJVYUNDYMJBAU-UHFFFAOYSA-N 1 2 275.356 1.974 20 70 CDIDLO COCCN(CC(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159575991 523677601 /nfs/dbraw/zinc/67/76/01/523677601.db2.gz CABBLPNATZXNGA-ZDUSSCGKSA-N 1 2 279.384 1.577 20 70 CDIDLO CCn1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000159709082 361805664 /nfs/dbraw/zinc/80/56/64/361805664.db2.gz NMAYADLTMWICAW-SNVBAGLBSA-N 1 2 259.313 1.301 20 70 CDIDLO Cc1[nH+]c2ccccn2c1CN1CCNC(=O)C1(C)C ZINC000159748819 361825636 /nfs/dbraw/zinc/82/56/36/361825636.db2.gz OPMCYHKPPKDVEF-UHFFFAOYSA-N 1 2 272.352 1.353 20 70 CDIDLO Cc1nc2ccccn2c1C[N@@H+]1CCNC(=O)C1(C)C ZINC000159748819 361825639 /nfs/dbraw/zinc/82/56/39/361825639.db2.gz OPMCYHKPPKDVEF-UHFFFAOYSA-N 1 2 272.352 1.353 20 70 CDIDLO Cc1nc2ccccn2c1C[N@H+]1CCNC(=O)C1(C)C ZINC000159748819 361825642 /nfs/dbraw/zinc/82/56/42/361825642.db2.gz OPMCYHKPPKDVEF-UHFFFAOYSA-N 1 2 272.352 1.353 20 70 CDIDLO Cc1cccc([C@H](C)C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000159909358 361929502 /nfs/dbraw/zinc/92/95/02/361929502.db2.gz MSGVBORDPSWGBP-CABCVRRESA-N 1 2 290.407 1.935 20 70 CDIDLO O=C(Nc1cnc(C2CC2)nc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161374948 539117685 /nfs/dbraw/zinc/11/76/85/539117685.db2.gz PWFUUYRAXAPYIM-LLVKDONJSA-N 1 2 283.335 1.752 20 70 CDIDLO CC(C)(C)Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)n[nH]1 ZINC000161047773 360404123 /nfs/dbraw/zinc/40/41/23/360404123.db2.gz MZKHWYVFGAPEIP-VIFPVBQESA-N 1 2 268.386 1.599 20 70 CDIDLO CC(C)[NH+]1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000159720120 364256394 /nfs/dbraw/zinc/25/63/94/364256394.db2.gz URIRRUQBUTXBIK-UHFFFAOYSA-N 1 2 299.378 1.638 20 70 CDIDLO Cn1c(Cl)c[nH+]c1Cn1nc(C(C)(C)C)ccc1=O ZINC000160385513 364344096 /nfs/dbraw/zinc/34/40/96/364344096.db2.gz IOFFVJVSQADCEI-UHFFFAOYSA-N 1 2 280.759 1.976 20 70 CDIDLO CCCCOC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000160097197 364305760 /nfs/dbraw/zinc/30/57/60/364305760.db2.gz JQSNUUFFFCSUHG-LBPRGKRZSA-N 1 2 267.373 1.974 20 70 CDIDLO CCCCOC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000160097197 364305765 /nfs/dbraw/zinc/30/57/65/364305765.db2.gz JQSNUUFFFCSUHG-LBPRGKRZSA-N 1 2 267.373 1.974 20 70 CDIDLO C[C@H](O)CN(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160808211 364411512 /nfs/dbraw/zinc/41/15/12/364411512.db2.gz CBNQDBQYJWYBFQ-VIFPVBQESA-N 1 2 263.345 1.398 20 70 CDIDLO CCc1nn(C)cc1C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000218081429 140164746 /nfs/dbraw/zinc/16/47/46/140164746.db2.gz SXNLLTLYTGFZDK-LLVKDONJSA-N 1 2 261.329 1.587 20 70 CDIDLO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1C ZINC000159517600 362006987 /nfs/dbraw/zinc/00/69/87/362006987.db2.gz XQIVSCVWNCQUTE-CYBMUJFWSA-N 1 2 281.352 1.230 20 70 CDIDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1C ZINC000159517600 362006997 /nfs/dbraw/zinc/00/69/97/362006997.db2.gz XQIVSCVWNCQUTE-CYBMUJFWSA-N 1 2 281.352 1.230 20 70 CDIDLO CN(CCC1CC1)C(=O)NCCCn1cc[nH+]c1 ZINC000160906443 364425887 /nfs/dbraw/zinc/42/58/87/364425887.db2.gz UBGAIJBNVMZNQS-UHFFFAOYSA-N 1 2 250.346 1.715 20 70 CDIDLO CN(Cc1nc(=O)c2sccc2[nH]1)[C@H](C[NH3+])C1CC1 ZINC000160163294 289772804 /nfs/dbraw/zinc/77/28/04/289772804.db2.gz LJPBRSVZOPXGDJ-SNVBAGLBSA-N 1 2 278.381 1.154 20 70 CDIDLO O=C(NC[C@H]1CC=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160749852 526586473 /nfs/dbraw/zinc/58/64/73/526586473.db2.gz VSQBXLUCPSJRHO-QWHCGFSZSA-N 1 2 259.353 1.918 20 70 CDIDLO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159701572 361799394 /nfs/dbraw/zinc/79/93/94/361799394.db2.gz RGXMNCVDXLQUNF-CQSZACIVSA-N 1 2 282.409 1.962 20 70 CDIDLO CCS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159701572 361799397 /nfs/dbraw/zinc/79/93/97/361799397.db2.gz RGXMNCVDXLQUNF-CQSZACIVSA-N 1 2 282.409 1.962 20 70 CDIDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3C(N)=O)n2c1 ZINC000160375872 363837892 /nfs/dbraw/zinc/83/78/92/363837892.db2.gz GSNBTQBEJVYLTJ-LBPRGKRZSA-N 1 2 258.325 1.092 20 70 CDIDLO Cc1ccc2ncc(C[N@H+]3CCC[C@H]3C(N)=O)n2c1 ZINC000160375872 363837898 /nfs/dbraw/zinc/83/78/98/363837898.db2.gz GSNBTQBEJVYLTJ-LBPRGKRZSA-N 1 2 258.325 1.092 20 70 CDIDLO Cc1ccc(NCc2[nH]cc[nH+]2)cc1NS(C)(=O)=O ZINC000159761069 364262503 /nfs/dbraw/zinc/26/25/03/364262503.db2.gz REPYDEIVTYVPQO-UHFFFAOYSA-N 1 2 280.353 1.702 20 70 CDIDLO CC[N@H+](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160583079 364376936 /nfs/dbraw/zinc/37/69/36/364376936.db2.gz INDFRPWTZXFGTD-LLVKDONJSA-N 1 2 259.396 1.757 20 70 CDIDLO CC[N@@H+](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160583079 364376940 /nfs/dbraw/zinc/37/69/40/364376940.db2.gz INDFRPWTZXFGTD-LLVKDONJSA-N 1 2 259.396 1.757 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000161256781 364468811 /nfs/dbraw/zinc/46/88/11/364468811.db2.gz MEOOOWABYVQIAC-CYBMUJFWSA-N 1 2 250.342 1.943 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccn(C)c1 ZINC000161256781 364468816 /nfs/dbraw/zinc/46/88/16/364468816.db2.gz MEOOOWABYVQIAC-CYBMUJFWSA-N 1 2 250.342 1.943 20 70 CDIDLO CCC[N@H+](Cc1scnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161112474 377156532 /nfs/dbraw/zinc/15/65/32/377156532.db2.gz VMQZWNXZNZFDQN-LLVKDONJSA-N 1 2 288.438 1.851 20 70 CDIDLO CCC[N@@H+](Cc1scnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161112474 377156537 /nfs/dbraw/zinc/15/65/37/377156537.db2.gz VMQZWNXZNZFDQN-LLVKDONJSA-N 1 2 288.438 1.851 20 70 CDIDLO Cc1cccc([C@H](C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000159909092 361928879 /nfs/dbraw/zinc/92/88/79/361928879.db2.gz MSGVBORDPSWGBP-GJZGRUSLSA-N 1 2 290.407 1.935 20 70 CDIDLO CC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(=O)OC ZINC000159477119 362326701 /nfs/dbraw/zinc/32/67/01/362326701.db2.gz GQMVQKXAIADPGS-LBPRGKRZSA-N 1 2 279.336 1.542 20 70 CDIDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CCS1 ZINC000159843445 363372113 /nfs/dbraw/zinc/37/21/13/363372113.db2.gz YUSLENVIBUONDD-NXEZZACHSA-N 1 2 296.358 1.977 20 70 CDIDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CCS1 ZINC000159843445 363372117 /nfs/dbraw/zinc/37/21/17/363372117.db2.gz YUSLENVIBUONDD-NXEZZACHSA-N 1 2 296.358 1.977 20 70 CDIDLO c1nc2ccccn2c1C[NH+]1CCN(c2cccnn2)CC1 ZINC000159496513 361720314 /nfs/dbraw/zinc/72/03/14/361720314.db2.gz FQUHKOSEBBNUPT-UHFFFAOYSA-N 1 2 294.362 1.447 20 70 CDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1C ZINC000159816200 364270420 /nfs/dbraw/zinc/27/04/20/364270420.db2.gz MKZYKGDPMUCKQA-CQSZACIVSA-N 1 2 290.363 1.167 20 70 CDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1C ZINC000159816200 364270425 /nfs/dbraw/zinc/27/04/25/364270425.db2.gz MKZYKGDPMUCKQA-CQSZACIVSA-N 1 2 290.363 1.167 20 70 CDIDLO CCCCOC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000160097057 364305921 /nfs/dbraw/zinc/30/59/21/364305921.db2.gz JQSNUUFFFCSUHG-GFCCVEGCSA-N 1 2 267.373 1.974 20 70 CDIDLO CCCCOC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000160097057 364305927 /nfs/dbraw/zinc/30/59/27/364305927.db2.gz JQSNUUFFFCSUHG-GFCCVEGCSA-N 1 2 267.373 1.974 20 70 CDIDLO COc1ccc(C[N@H+](C)Cc2cnnn2C)c(OC)c1 ZINC000160828801 364415718 /nfs/dbraw/zinc/41/57/18/364415718.db2.gz CTMIMZBFNJPJSJ-UHFFFAOYSA-N 1 2 276.340 1.464 20 70 CDIDLO COc1ccc(C[N@@H+](C)Cc2cnnn2C)c(OC)c1 ZINC000160828801 364415721 /nfs/dbraw/zinc/41/57/21/364415721.db2.gz CTMIMZBFNJPJSJ-UHFFFAOYSA-N 1 2 276.340 1.464 20 70 CDIDLO COC(C[NH+]1CCN(C(=O)OCC(C)C)CC1)OC ZINC000160767913 292794042 /nfs/dbraw/zinc/79/40/42/292794042.db2.gz QPBTXESJGKTIHL-UHFFFAOYSA-N 1 2 274.361 1.016 20 70 CDIDLO Cc1cc(NC(=O)c2cnc3c(c2)ncn3C)cc[nH+]1 ZINC000160484122 525258938 /nfs/dbraw/zinc/25/89/38/525258938.db2.gz UPRFFOAWTCDCKB-UHFFFAOYSA-N 1 2 267.292 1.924 20 70 CDIDLO Cc1cccn2c(C[N@@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000160345572 525464254 /nfs/dbraw/zinc/46/42/54/525464254.db2.gz LOCYYFSJNJWDPP-GFCCVEGCSA-N 1 2 258.325 1.092 20 70 CDIDLO Cc1cccn2c(C[N@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000160345572 525464263 /nfs/dbraw/zinc/46/42/63/525464263.db2.gz LOCYYFSJNJWDPP-GFCCVEGCSA-N 1 2 258.325 1.092 20 70 CDIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1 ZINC000159635795 361754945 /nfs/dbraw/zinc/75/49/45/361754945.db2.gz OBIMTGUBONKPQO-CYBMUJFWSA-N 1 2 297.420 1.933 20 70 CDIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1 ZINC000159635795 361754948 /nfs/dbraw/zinc/75/49/48/361754948.db2.gz OBIMTGUBONKPQO-CYBMUJFWSA-N 1 2 297.420 1.933 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)O ZINC000159454275 364209210 /nfs/dbraw/zinc/20/92/10/364209210.db2.gz KEUPRWYXIFPSKN-CABZTGNLSA-N 1 2 255.289 1.352 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)O ZINC000159454275 364209214 /nfs/dbraw/zinc/20/92/14/364209214.db2.gz KEUPRWYXIFPSKN-CABZTGNLSA-N 1 2 255.289 1.352 20 70 CDIDLO CC[C@H](O)CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000160762359 364406393 /nfs/dbraw/zinc/40/63/93/364406393.db2.gz XGOIBHAEXJDQOI-LBPRGKRZSA-N 1 2 276.340 1.295 20 70 CDIDLO COCC(C)(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000161436363 364491787 /nfs/dbraw/zinc/49/17/87/364491787.db2.gz HICNOJRGEHKZFU-UHFFFAOYSA-N 1 2 275.352 1.666 20 70 CDIDLO CC(C)CCNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000160058445 292776443 /nfs/dbraw/zinc/77/64/43/292776443.db2.gz XAJURLJDOSXHCS-CYBMUJFWSA-N 1 2 288.457 1.603 20 70 CDIDLO COC(C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1)OC ZINC000161240081 522535154 /nfs/dbraw/zinc/53/51/54/522535154.db2.gz LFOGQTQBMAUTKM-UHFFFAOYSA-N 1 2 296.342 1.089 20 70 CDIDLO COC(C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1)OC ZINC000161240081 522535165 /nfs/dbraw/zinc/53/51/65/522535165.db2.gz LFOGQTQBMAUTKM-UHFFFAOYSA-N 1 2 296.342 1.089 20 70 CDIDLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)c[nH]c1=O ZINC000159773559 539114689 /nfs/dbraw/zinc/11/46/89/539114689.db2.gz YUBZDPQUJPEKNP-UHFFFAOYSA-N 1 2 260.297 1.299 20 70 CDIDLO Cn1cnnc1C[N@H+](C)CCOc1ccc(F)cc1 ZINC000160720342 529925758 /nfs/dbraw/zinc/92/57/58/529925758.db2.gz BFRLSERIHZTOAO-UHFFFAOYSA-N 1 2 264.304 1.465 20 70 CDIDLO Cn1cnnc1C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000160720342 529925759 /nfs/dbraw/zinc/92/57/59/529925759.db2.gz BFRLSERIHZTOAO-UHFFFAOYSA-N 1 2 264.304 1.465 20 70 CDIDLO CCCc1nc(CSCC[NH+]2CCOCC2)no1 ZINC000159777304 363297907 /nfs/dbraw/zinc/29/79/07/363297907.db2.gz JCCCGUSBHZWXID-UHFFFAOYSA-N 1 2 271.386 1.588 20 70 CDIDLO C[C@H](CNC(=O)C1CCC(C)(C)CC1)[NH+]1CCN(C)CC1 ZINC000159842769 363372019 /nfs/dbraw/zinc/37/20/19/363372019.db2.gz NZJYELRTUGCSSW-CQSZACIVSA-N 1 2 295.471 1.955 20 70 CDIDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccccc1 ZINC000159526670 361729739 /nfs/dbraw/zinc/72/97/39/361729739.db2.gz ITUDJDWGCOEZSV-CFVMTHIKSA-N 1 2 289.379 1.472 20 70 CDIDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccccc1 ZINC000159526670 361729745 /nfs/dbraw/zinc/72/97/45/361729745.db2.gz ITUDJDWGCOEZSV-CFVMTHIKSA-N 1 2 289.379 1.472 20 70 CDIDLO COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cc(Cl)c1OC ZINC000160327032 363817128 /nfs/dbraw/zinc/81/71/28/363817128.db2.gz OOVIWLWPTTVSBN-NSHDSACASA-N 1 2 298.770 1.807 20 70 CDIDLO COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)cc(Cl)c1OC ZINC000160327032 363817130 /nfs/dbraw/zinc/81/71/30/363817130.db2.gz OOVIWLWPTTVSBN-NSHDSACASA-N 1 2 298.770 1.807 20 70 CDIDLO Cc1ccc(C(=O)CC[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000160067481 364301839 /nfs/dbraw/zinc/30/18/39/364301839.db2.gz GJOCTRJOULYTAS-CQSZACIVSA-N 1 2 287.363 1.277 20 70 CDIDLO Cc1ccc(C(=O)CC[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000160067481 364301843 /nfs/dbraw/zinc/30/18/43/364301843.db2.gz GJOCTRJOULYTAS-CQSZACIVSA-N 1 2 287.363 1.277 20 70 CDIDLO O=C1C[N@H+](Cc2ccc(OCC(F)F)cc2)CCN1 ZINC000160490217 364362503 /nfs/dbraw/zinc/36/25/03/364362503.db2.gz AAGKMCYSDBAQDW-UHFFFAOYSA-N 1 2 270.279 1.262 20 70 CDIDLO O=C1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CCN1 ZINC000160490217 364362513 /nfs/dbraw/zinc/36/25/13/364362513.db2.gz AAGKMCYSDBAQDW-UHFFFAOYSA-N 1 2 270.279 1.262 20 70 CDIDLO Cc1ccc([C@H](O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159858958 139906191 /nfs/dbraw/zinc/90/61/91/139906191.db2.gz QUMFBUVUKMSJOV-HUUCEWRRSA-N 1 2 299.374 1.604 20 70 CDIDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](CO)CC(C)C ZINC000160834917 292794923 /nfs/dbraw/zinc/79/49/23/292794923.db2.gz NBWBMCJFJMCMCR-FYJFLYSWSA-N 1 2 265.357 1.439 20 70 CDIDLO c1cc(CN2CC[NH+](Cc3cnc4ccccn34)CC2)no1 ZINC000160801276 526423874 /nfs/dbraw/zinc/42/38/74/526423874.db2.gz LZKBZEWLUUUPQL-UHFFFAOYSA-N 1 2 297.362 1.640 20 70 CDIDLO CCC[C@H]1CN(Cc2n[nH]c(CC)n2)CC[N@@H+]1CCOC ZINC000160192904 362051010 /nfs/dbraw/zinc/05/10/10/362051010.db2.gz YVDRGHSLBKZSHB-ZDUSSCGKSA-N 1 2 295.431 1.300 20 70 CDIDLO CC[C@H](C)c1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)on1 ZINC000160215069 362056926 /nfs/dbraw/zinc/05/69/26/362056926.db2.gz VQVXCZMQOOSYHB-NWDGAFQWSA-N 1 2 295.383 1.639 20 70 CDIDLO Cn1cnnc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000160796828 362175561 /nfs/dbraw/zinc/17/55/61/362175561.db2.gz JGZGJEDHOSJQKU-UHFFFAOYSA-N 1 2 295.387 1.304 20 70 CDIDLO CC[N@H+](CC(=O)N(C)c1ccccc1)Cc1cnn(C)c1 ZINC000161083518 362577445 /nfs/dbraw/zinc/57/74/45/362577445.db2.gz WPPAKGOLAIMAQU-UHFFFAOYSA-N 1 2 286.379 1.905 20 70 CDIDLO CC[N@@H+](CC(=O)N(C)c1ccccc1)Cc1cnn(C)c1 ZINC000161083518 362577453 /nfs/dbraw/zinc/57/74/53/362577453.db2.gz WPPAKGOLAIMAQU-UHFFFAOYSA-N 1 2 286.379 1.905 20 70 CDIDLO CCC(CC)NC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161116660 362675323 /nfs/dbraw/zinc/67/53/23/362675323.db2.gz KRFNNXDTTOIZFJ-LBPRGKRZSA-N 1 2 280.416 1.935 20 70 CDIDLO CCC(CC)NC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161116660 362675328 /nfs/dbraw/zinc/67/53/28/362675328.db2.gz KRFNNXDTTOIZFJ-LBPRGKRZSA-N 1 2 280.416 1.935 20 70 CDIDLO CCc1nnc(C[NH2+][C@@H](CCO)c2ccccc2)[nH]1 ZINC000160292831 364329646 /nfs/dbraw/zinc/32/96/46/364329646.db2.gz UGMMYPVFSCONSB-LBPRGKRZSA-N 1 2 260.341 1.580 20 70 CDIDLO CCOCCC1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000160527796 364367673 /nfs/dbraw/zinc/36/76/73/364367673.db2.gz YNUAQIQLEKXIKO-UHFFFAOYSA-N 1 2 279.384 1.986 20 70 CDIDLO COC(C[N@@H+]1CCO[C@H](c2ccccc2)C1)OC ZINC000160534003 364368036 /nfs/dbraw/zinc/36/80/36/364368036.db2.gz JUDWHMVODFFERX-ZDUSSCGKSA-N 1 2 251.326 1.679 20 70 CDIDLO COC(C[N@H+]1CCO[C@H](c2ccccc2)C1)OC ZINC000160534003 364368038 /nfs/dbraw/zinc/36/80/38/364368038.db2.gz JUDWHMVODFFERX-ZDUSSCGKSA-N 1 2 251.326 1.679 20 70 CDIDLO CS[C@H]1CCCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000161128462 364452013 /nfs/dbraw/zinc/45/20/13/364452013.db2.gz CXBNIYJXGKVEEJ-LBPRGKRZSA-N 1 2 282.413 1.810 20 70 CDIDLO CCCNC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161225821 377493415 /nfs/dbraw/zinc/49/34/15/377493415.db2.gz YJROWUWLDHCNMI-AWEZNQCLSA-N 1 2 290.411 1.114 20 70 CDIDLO CCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161225821 377493422 /nfs/dbraw/zinc/49/34/22/377493422.db2.gz YJROWUWLDHCNMI-AWEZNQCLSA-N 1 2 290.411 1.114 20 70 CDIDLO CC(C)CCn1ccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000161411718 519703323 /nfs/dbraw/zinc/70/33/23/519703323.db2.gz HQVPTFZBLBUFBL-UHFFFAOYSA-N 1 2 290.371 1.947 20 70 CDIDLO CCC(=O)N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000160824179 521104677 /nfs/dbraw/zinc/10/46/77/521104677.db2.gz QBTGSYNOWBAEMT-UHFFFAOYSA-N 1 2 278.400 1.908 20 70 CDIDLO CCC(=O)N1CCC[N@@H+](Cc2nccn2C(C)C)CC1 ZINC000160824179 521104687 /nfs/dbraw/zinc/10/46/87/521104687.db2.gz QBTGSYNOWBAEMT-UHFFFAOYSA-N 1 2 278.400 1.908 20 70 CDIDLO CCC(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000160824179 521104697 /nfs/dbraw/zinc/10/46/97/521104697.db2.gz QBTGSYNOWBAEMT-UHFFFAOYSA-N 1 2 278.400 1.908 20 70 CDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000160597796 524625050 /nfs/dbraw/zinc/62/50/50/524625050.db2.gz FEJYKRYIVWGUHA-HZSPNIEDSA-N 1 2 268.401 1.650 20 70 CDIDLO CC(C)n1cccc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160329161 188466214 /nfs/dbraw/zinc/46/62/14/188466214.db2.gz JCRBRFQRYQWNRE-UHFFFAOYSA-N 1 2 293.411 1.910 20 70 CDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCCC3)C[C@H]21 ZINC000159871073 363387316 /nfs/dbraw/zinc/38/73/16/363387316.db2.gz TVBLAULFHIAMGO-CHWSQXEVSA-N 1 2 281.400 1.291 20 70 CDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCCC3)C[C@H]21 ZINC000159871073 363387320 /nfs/dbraw/zinc/38/73/20/363387320.db2.gz TVBLAULFHIAMGO-CHWSQXEVSA-N 1 2 281.400 1.291 20 70 CDIDLO Cc1ccccc1CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161164957 358789332 /nfs/dbraw/zinc/78/93/32/358789332.db2.gz IJEGDVYXNUJNGT-UHFFFAOYSA-N 1 2 264.350 1.844 20 70 CDIDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000160111225 363670712 /nfs/dbraw/zinc/67/07/12/363670712.db2.gz JAFHYFXQIDNBLO-UONOGXRCSA-N 1 2 297.443 1.624 20 70 CDIDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000160111225 363670719 /nfs/dbraw/zinc/67/07/19/363670719.db2.gz JAFHYFXQIDNBLO-UONOGXRCSA-N 1 2 297.443 1.624 20 70 CDIDLO Cc1cccc(OCC[N@@H+](C)Cc2nncn2C)c1 ZINC000160721655 360838176 /nfs/dbraw/zinc/83/81/76/360838176.db2.gz WOKUBNJDDJVJAF-UHFFFAOYSA-N 1 2 260.341 1.634 20 70 CDIDLO Cc1cccc(OCC[N@H+](C)Cc2nncn2C)c1 ZINC000160721655 360838178 /nfs/dbraw/zinc/83/81/78/360838178.db2.gz WOKUBNJDDJVJAF-UHFFFAOYSA-N 1 2 260.341 1.634 20 70 CDIDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NC1(CO)CC1 ZINC000160272538 363795760 /nfs/dbraw/zinc/79/57/60/363795760.db2.gz NWZDNICDPUIZSI-ZZXKWVIFSA-N 1 2 283.331 1.527 20 70 CDIDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)o1 ZINC000160981352 364435410 /nfs/dbraw/zinc/43/54/10/364435410.db2.gz BOYGFZVZEBXFAI-CQSZACIVSA-N 1 2 278.352 1.411 20 70 CDIDLO O=C(NCCn1cc[nH+]c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000161046939 364441035 /nfs/dbraw/zinc/44/10/35/364441035.db2.gz JNHPEGMASRNXMP-OWCLPIDISA-N 1 2 296.374 1.911 20 70 CDIDLO COCCN(CC[NH2+]Cc1ccn[nH]1)C(=O)OC(C)(C)C ZINC000218137019 263026738 /nfs/dbraw/zinc/02/67/38/263026738.db2.gz HPJCILLPEJABRH-UHFFFAOYSA-N 1 2 298.387 1.383 20 70 CDIDLO CN(C)c1nc(CSCC[NH+]2CCOCC2)ns1 ZINC000159936928 292773659 /nfs/dbraw/zinc/77/36/59/292773659.db2.gz FDLSFGFKNREGAG-UHFFFAOYSA-N 1 2 288.442 1.170 20 70 CDIDLO CC(C)c1ccc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000160021703 528071396 /nfs/dbraw/zinc/07/13/96/528071396.db2.gz ISMQYTRNFPKUTD-UHFFFAOYSA-N 1 2 258.325 1.832 20 70 CDIDLO CCC(CC)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000160018778 363586717 /nfs/dbraw/zinc/58/67/17/363586717.db2.gz TYGROMVTVQCGGG-LBPRGKRZSA-N 1 2 288.457 1.745 20 70 CDIDLO CN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161103355 522529288 /nfs/dbraw/zinc/52/92/88/522529288.db2.gz KTBCLXZTPKGZMY-LLVKDONJSA-N 1 2 293.367 1.246 20 70 CDIDLO CC[C@@]1(C)C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159536168 362223053 /nfs/dbraw/zinc/22/30/53/362223053.db2.gz GTOUUEFXZJBDJZ-WFASDCNBSA-N 1 2 268.401 1.650 20 70 CDIDLO C[C@@H](CNC(=O)C1CCC(C)(C)CC1)[NH+]1CCN(C)CC1 ZINC000159842665 363372169 /nfs/dbraw/zinc/37/21/69/363372169.db2.gz NZJYELRTUGCSSW-AWEZNQCLSA-N 1 2 295.471 1.955 20 70 CDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3(C)CCCC3)C[C@H]21 ZINC000159871398 363387559 /nfs/dbraw/zinc/38/75/59/363387559.db2.gz TVBLAULFHIAMGO-OLZOCXBDSA-N 1 2 281.400 1.291 20 70 CDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)NCC3(C)CCCC3)C[C@H]21 ZINC000159871398 363387566 /nfs/dbraw/zinc/38/75/66/363387566.db2.gz TVBLAULFHIAMGO-OLZOCXBDSA-N 1 2 281.400 1.291 20 70 CDIDLO CC[N@H+](Cc1c[nH]nc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159917122 363460413 /nfs/dbraw/zinc/46/04/13/363460413.db2.gz CIWIKUREWBYSQJ-UHFFFAOYSA-N 1 2 297.362 1.977 20 70 CDIDLO CC[N@@H+](Cc1c[nH]nc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159917122 363460416 /nfs/dbraw/zinc/46/04/16/363460416.db2.gz CIWIKUREWBYSQJ-UHFFFAOYSA-N 1 2 297.362 1.977 20 70 CDIDLO O=C(NCc1cn2ccccc2[nH+]1)NO[C@@H]1CCCCO1 ZINC000161301176 364475871 /nfs/dbraw/zinc/47/58/71/364475871.db2.gz SPRDGFANABTQNT-CYBMUJFWSA-N 1 2 290.323 1.592 20 70 CDIDLO CN(C)C(=O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160341638 377056632 /nfs/dbraw/zinc/05/66/32/377056632.db2.gz FUEFUPAOHOZGLQ-UHFFFAOYSA-N 1 2 276.344 1.081 20 70 CDIDLO Cc1cnccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161487240 391593447 /nfs/dbraw/zinc/59/34/47/391593447.db2.gz ZZGYTQYVGUWUHM-LLVKDONJSA-N 1 2 256.309 1.788 20 70 CDIDLO CN(C)c1[nH+]cccc1NC(=O)/C=C/c1ccncn1 ZINC000159555170 292761704 /nfs/dbraw/zinc/76/17/04/292761704.db2.gz QPUBBEXYUKEZNM-AATRIKPKSA-N 1 2 269.308 1.590 20 70 CDIDLO FC(F)(F)Cn1cnnc1SCCn1cc[nH+]c1 ZINC000160112222 292777816 /nfs/dbraw/zinc/77/78/16/292777816.db2.gz XCLWLDGVRWTPQF-UHFFFAOYSA-N 1 2 277.275 1.829 20 70 CDIDLO CC1(O)CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000161201055 362586014 /nfs/dbraw/zinc/58/60/14/362586014.db2.gz WJHCEEDNGYMZJQ-UHFFFAOYSA-N 1 2 284.306 1.750 20 70 CDIDLO CC(C)c1nc(N(C)CCn2cccn2)nc(N(C)C)[nH+]1 ZINC000159683457 364251357 /nfs/dbraw/zinc/25/13/57/364251357.db2.gz ZKYKYIXFBNODEA-UHFFFAOYSA-N 1 2 289.387 1.394 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N(C)CCn2cccn2)[nH+]1 ZINC000159683457 364251361 /nfs/dbraw/zinc/25/13/61/364251361.db2.gz ZKYKYIXFBNODEA-UHFFFAOYSA-N 1 2 289.387 1.394 20 70 CDIDLO CCCC[N@H+](Cc1c(C)n[nH]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160792946 377116139 /nfs/dbraw/zinc/11/61/39/377116139.db2.gz UQBBULOJBCGVRU-CYBMUJFWSA-N 1 2 299.440 1.816 20 70 CDIDLO CCCC[N@@H+](Cc1c(C)n[nH]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160792946 377116144 /nfs/dbraw/zinc/11/61/44/377116144.db2.gz UQBBULOJBCGVRU-CYBMUJFWSA-N 1 2 299.440 1.816 20 70 CDIDLO Clc1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000160388217 279296523 /nfs/dbraw/zinc/29/65/23/279296523.db2.gz RMNRHJWKXBIVHX-LBPRGKRZSA-N 1 2 282.775 1.431 20 70 CDIDLO CCOCCN(CC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161490975 519908637 /nfs/dbraw/zinc/90/86/37/519908637.db2.gz OZROAIBYDPONLZ-LBPRGKRZSA-N 1 2 265.357 1.331 20 70 CDIDLO O=C(/C=C/c1cccnc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161336698 527637433 /nfs/dbraw/zinc/63/74/33/527637433.db2.gz HIMVTLFIALNLDW-LFAOLKIESA-N 1 2 294.358 1.885 20 70 CDIDLO Cc1nccc(NC(=O)N2CC[NH+](CCO)CC2)c1Cl ZINC000159658970 538845196 /nfs/dbraw/zinc/84/51/96/538845196.db2.gz TYASGCLFUKSDPF-UHFFFAOYSA-N 1 2 298.774 1.185 20 70 CDIDLO CC(C)CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160831280 346639226 /nfs/dbraw/zinc/63/92/26/346639226.db2.gz YQBMAMGAMBTOQA-UHFFFAOYSA-N 1 2 278.400 1.501 20 70 CDIDLO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)C(=O)OC ZINC000159474062 188427613 /nfs/dbraw/zinc/42/76/13/188427613.db2.gz NBMMYVSWGCSLCR-LBPRGKRZSA-N 1 2 281.352 1.788 20 70 CDIDLO CSCC[C@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160665896 358994336 /nfs/dbraw/zinc/99/43/36/358994336.db2.gz VGHCRSHZNAOUKK-SNVBAGLBSA-N 1 2 299.444 1.587 20 70 CDIDLO CSCC[C@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160665896 358994337 /nfs/dbraw/zinc/99/43/37/358994337.db2.gz VGHCRSHZNAOUKK-SNVBAGLBSA-N 1 2 299.444 1.587 20 70 CDIDLO CC(C)CCNC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000160058567 363625043 /nfs/dbraw/zinc/62/50/43/363625043.db2.gz XAJURLJDOSXHCS-ZDUSSCGKSA-N 1 2 288.457 1.603 20 70 CDIDLO O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CSC[NH2+]1 ZINC000159500255 364219854 /nfs/dbraw/zinc/21/98/54/364219854.db2.gz CIHMRTMWXUFTHU-JTQLQIEISA-N 1 2 275.337 1.073 20 70 CDIDLO C[C@]1(O)CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000160434540 364352856 /nfs/dbraw/zinc/35/28/56/364352856.db2.gz OOBJIOKGWFJYGV-HNNXBMFYSA-N 1 2 292.383 1.440 20 70 CDIDLO Cc1ncsc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161027597 364439956 /nfs/dbraw/zinc/43/99/56/364439956.db2.gz WAUAEZLDXXRTKM-LBPRGKRZSA-N 1 2 295.408 1.275 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000161256617 364469462 /nfs/dbraw/zinc/46/94/62/364469462.db2.gz MEOOOWABYVQIAC-ZDUSSCGKSA-N 1 2 250.342 1.943 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccn(C)c1 ZINC000161256617 364469468 /nfs/dbraw/zinc/46/94/68/364469468.db2.gz MEOOOWABYVQIAC-ZDUSSCGKSA-N 1 2 250.342 1.943 20 70 CDIDLO O=C(N[C@H]1CCc2c1cccc2O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161344282 373504985 /nfs/dbraw/zinc/50/49/85/373504985.db2.gz WESLMEBMUFHMCY-RISCZKNCSA-N 1 2 297.358 1.955 20 70 CDIDLO Cc1cccnc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161435599 525521359 /nfs/dbraw/zinc/52/13/59/525521359.db2.gz WLWKGMPIDLZDEC-LBPRGKRZSA-N 1 2 270.336 1.465 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)CCO)[nH+]1 ZINC000159907752 539115037 /nfs/dbraw/zinc/11/50/37/539115037.db2.gz DIWNOQNYQVNYJG-VIFPVBQESA-N 1 2 253.350 1.244 20 70 CDIDLO CC(C)c1nc(N[C@@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000159907752 539115038 /nfs/dbraw/zinc/11/50/38/539115038.db2.gz DIWNOQNYQVNYJG-VIFPVBQESA-N 1 2 253.350 1.244 20 70 CDIDLO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161212599 362690752 /nfs/dbraw/zinc/69/07/52/362690752.db2.gz AYYYQXJSZSJGSB-UHFFFAOYSA-N 1 2 290.363 1.675 20 70 CDIDLO CCC[C@@](C)(O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159479577 361710583 /nfs/dbraw/zinc/71/05/83/361710583.db2.gz QBUSRONNKKQPGO-XJKSGUPXSA-N 1 2 293.411 1.752 20 70 CDIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000160733000 364401319 /nfs/dbraw/zinc/40/13/19/364401319.db2.gz LGTUHRLFRYIWGR-JQWIXIFHSA-N 1 2 296.392 1.156 20 70 CDIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000160733000 364401329 /nfs/dbraw/zinc/40/13/29/364401329.db2.gz LGTUHRLFRYIWGR-JQWIXIFHSA-N 1 2 296.392 1.156 20 70 CDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1O ZINC000161366584 364484205 /nfs/dbraw/zinc/48/42/05/364484205.db2.gz HRCTXJYTOHHCRS-GFCCVEGCSA-N 1 2 283.331 1.796 20 70 CDIDLO CN1CC[N@H+](C)[C@@H](CNc2cc(Cl)nc(C3CC3)n2)C1 ZINC000217459422 392959263 /nfs/dbraw/zinc/95/92/63/392959263.db2.gz CFLAGUBNEUUMCB-NSHDSACASA-N 1 2 295.818 1.665 20 70 CDIDLO CN1CC[N@@H+](C)[C@@H](CNc2cc(Cl)nc(C3CC3)n2)C1 ZINC000217459422 392959269 /nfs/dbraw/zinc/95/92/69/392959269.db2.gz CFLAGUBNEUUMCB-NSHDSACASA-N 1 2 295.818 1.665 20 70 CDIDLO COc1cccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000217000054 262114030 /nfs/dbraw/zinc/11/40/30/262114030.db2.gz KWJQOEAQJSZXHE-WAYWQWQTSA-N 1 2 257.293 1.748 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000160364840 527005417 /nfs/dbraw/zinc/00/54/17/527005417.db2.gz GPQNQSWLQASKSN-SNVBAGLBSA-N 1 2 256.708 1.929 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000160364840 527005421 /nfs/dbraw/zinc/00/54/21/527005421.db2.gz GPQNQSWLQASKSN-SNVBAGLBSA-N 1 2 256.708 1.929 20 70 CDIDLO COc1ncccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160075344 362015419 /nfs/dbraw/zinc/01/54/19/362015419.db2.gz ABOWWIKNNZDKJN-SNVBAGLBSA-N 1 2 272.308 1.488 20 70 CDIDLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)c1ccccc1F ZINC000160474137 362228939 /nfs/dbraw/zinc/22/89/39/362228939.db2.gz MCOLMHMIHPPCGY-BXUZGUMPSA-N 1 2 290.338 1.609 20 70 CDIDLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)c1ccccc1F ZINC000160474137 362228943 /nfs/dbraw/zinc/22/89/43/362228943.db2.gz MCOLMHMIHPPCGY-BXUZGUMPSA-N 1 2 290.338 1.609 20 70 CDIDLO CCC[C@@](C)(O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159479329 361710992 /nfs/dbraw/zinc/71/09/92/361710992.db2.gz QBUSRONNKKQPGO-CZUORRHYSA-N 1 2 293.411 1.752 20 70 CDIDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1cccnc1 ZINC000159458732 364210397 /nfs/dbraw/zinc/21/03/97/364210397.db2.gz WTSAHZKFTAMIIC-JSGCOSHPSA-N 1 2 277.368 1.197 20 70 CDIDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)Cc1cccnc1 ZINC000159458732 364210405 /nfs/dbraw/zinc/21/04/05/364210405.db2.gz WTSAHZKFTAMIIC-JSGCOSHPSA-N 1 2 277.368 1.197 20 70 CDIDLO O=C([C@H]1CCCCO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000161159054 364455516 /nfs/dbraw/zinc/45/55/16/364455516.db2.gz ZYLYPSKCZMURPE-OAHLLOKOSA-N 1 2 289.379 1.295 20 70 CDIDLO C[C@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161148346 367305704 /nfs/dbraw/zinc/30/57/04/367305704.db2.gz MEHQNTXKGWNZKV-JHJVBQTASA-N 1 2 277.368 1.519 20 70 CDIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000159416984 361700239 /nfs/dbraw/zinc/70/02/39/361700239.db2.gz XBIGVZXRQRNEKR-GFCCVEGCSA-N 1 2 297.399 1.208 20 70 CDIDLO C[C@@H](CNC(=O)[C@@H]1OCCc2ccccc21)Cn1cc[nH+]c1 ZINC000160605554 364380609 /nfs/dbraw/zinc/38/06/09/364380609.db2.gz LVPWFRATWCOTGV-XJKSGUPXSA-N 1 2 299.374 1.949 20 70 CDIDLO C[C@H](CNC(=O)[C@@H]1OCCc2ccccc21)Cn1cc[nH+]c1 ZINC000160605676 364380891 /nfs/dbraw/zinc/38/08/91/364380891.db2.gz LVPWFRATWCOTGV-CZUORRHYSA-N 1 2 299.374 1.949 20 70 CDIDLO CCc1nn(C)cc1C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000218081358 140165667 /nfs/dbraw/zinc/16/56/67/140165667.db2.gz SXNLLTLYTGFZDK-NSHDSACASA-N 1 2 261.329 1.587 20 70 CDIDLO CCC[C@@H]1CN(Cc2n[nH]c(CC)n2)CC[N@@H+]1CCOC ZINC000160192769 362050251 /nfs/dbraw/zinc/05/02/51/362050251.db2.gz YVDRGHSLBKZSHB-CYBMUJFWSA-N 1 2 295.431 1.300 20 70 CDIDLO CCC[C@@H]1CN(Cc2n[nH]c(CC)n2)CC[N@H+]1CCOC ZINC000160192769 362050256 /nfs/dbraw/zinc/05/02/56/362050256.db2.gz YVDRGHSLBKZSHB-CYBMUJFWSA-N 1 2 295.431 1.300 20 70 CDIDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)s1 ZINC000160981864 362421495 /nfs/dbraw/zinc/42/14/95/362421495.db2.gz PXTXODXGDQCEJO-CQSZACIVSA-N 1 2 294.420 1.880 20 70 CDIDLO CC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000159361299 358446876 /nfs/dbraw/zinc/44/68/76/358446876.db2.gz MHPTZQGMPQMNOI-UHFFFAOYSA-N 1 2 259.353 1.526 20 70 CDIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159512429 364225369 /nfs/dbraw/zinc/22/53/69/364225369.db2.gz ZKZNEKMAWJZVNZ-IUODEOHRSA-N 1 2 299.374 1.998 20 70 CDIDLO CC(C)COc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000160493066 364361932 /nfs/dbraw/zinc/36/19/32/364361932.db2.gz MPOSWRQKHLPNTM-UHFFFAOYSA-N 1 2 262.353 1.653 20 70 CDIDLO CC(C)COc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000160493066 364361936 /nfs/dbraw/zinc/36/19/36/364361936.db2.gz MPOSWRQKHLPNTM-UHFFFAOYSA-N 1 2 262.353 1.653 20 70 CDIDLO Cn1nccc1CSc1[nH+]cnc2c1cnn2C ZINC000161324164 364477598 /nfs/dbraw/zinc/47/75/98/364477598.db2.gz NRIARCUGZANVJX-UHFFFAOYSA-N 1 2 260.326 1.389 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000218221546 368666503 /nfs/dbraw/zinc/66/65/03/368666503.db2.gz ITWBROJVTNATTJ-UHFFFAOYSA-N 1 2 264.304 1.736 20 70 CDIDLO CCC[N@H+](Cc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161118908 377157406 /nfs/dbraw/zinc/15/74/06/377157406.db2.gz QYQCERNQFGWTQT-GFCCVEGCSA-N 1 2 271.386 1.117 20 70 CDIDLO CCC[N@@H+](Cc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161118908 377157423 /nfs/dbraw/zinc/15/74/23/377157423.db2.gz QYQCERNQFGWTQT-GFCCVEGCSA-N 1 2 271.386 1.117 20 70 CDIDLO CCN(CC)C(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159828199 292770815 /nfs/dbraw/zinc/77/08/15/292770815.db2.gz IDAPKZNFWUXGTD-LBPRGKRZSA-N 1 2 274.430 1.309 20 70 CDIDLO CC(C)C(=O)NCCC[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000159973671 363536569 /nfs/dbraw/zinc/53/65/69/363536569.db2.gz WWVIICYWRDTCSQ-ZDUSSCGKSA-N 1 2 295.358 1.104 20 70 CDIDLO O=C(NCc1[nH]cc[nH+]1)c1cc2c([nH]c1=O)CCCCC2 ZINC000159861846 364274505 /nfs/dbraw/zinc/27/45/05/364274505.db2.gz BYGAWMQTETVYPE-UHFFFAOYSA-N 1 2 286.335 1.297 20 70 CDIDLO CC(C)(C)[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)C(N)=O ZINC000160873242 364421904 /nfs/dbraw/zinc/42/19/04/364421904.db2.gz KLQUBEMCFRJGEU-JTQLQIEISA-N 1 2 294.380 1.788 20 70 CDIDLO CC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)c1[nH]cc[nH+]1 ZINC000218083710 373739195 /nfs/dbraw/zinc/73/91/95/373739195.db2.gz BJPQFTAKHFHANA-SNVBAGLBSA-N 1 2 260.297 1.288 20 70 CDIDLO CCC[N@H+](Cc1cccnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161111442 377157167 /nfs/dbraw/zinc/15/71/67/377157167.db2.gz JTOIGRUHCFTICD-CQSZACIVSA-N 1 2 282.409 1.789 20 70 CDIDLO CCC[N@@H+](Cc1cccnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161111442 377157181 /nfs/dbraw/zinc/15/71/81/377157181.db2.gz JTOIGRUHCFTICD-CQSZACIVSA-N 1 2 282.409 1.789 20 70 CDIDLO Cc1ccccc1CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000216735335 140162991 /nfs/dbraw/zinc/16/29/91/140162991.db2.gz XXZBJVSPABKKPN-CYBMUJFWSA-N 1 2 282.409 1.461 20 70 CDIDLO Cc1ccccc1CS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000216735335 140162992 /nfs/dbraw/zinc/16/29/92/140162992.db2.gz XXZBJVSPABKKPN-CYBMUJFWSA-N 1 2 282.409 1.461 20 70 CDIDLO CC[C@H](NC[C@@H](CC(C)C)[NH+]1CCOCC1)C(=O)OC ZINC000159483252 288043606 /nfs/dbraw/zinc/04/36/06/288043606.db2.gz DJSXBLXRKAGBPH-KGLIPLIRSA-N 1 2 286.416 1.275 20 70 CDIDLO CC[C@H]([NH2+]C[C@@H](CC(C)C)N1CCOCC1)C(=O)OC ZINC000159483252 288043608 /nfs/dbraw/zinc/04/36/08/288043608.db2.gz DJSXBLXRKAGBPH-KGLIPLIRSA-N 1 2 286.416 1.275 20 70 CDIDLO O=C(NC[C@@H]1CC=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160750075 526501769 /nfs/dbraw/zinc/50/17/69/526501769.db2.gz VSQBXLUCPSJRHO-CHWSQXEVSA-N 1 2 259.353 1.918 20 70 CDIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccncc1 ZINC000159801419 363326930 /nfs/dbraw/zinc/32/69/30/363326930.db2.gz GNPMKDZMMMAOEK-UHFFFAOYSA-N 1 2 281.381 1.086 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000160335488 358247195 /nfs/dbraw/zinc/24/71/95/358247195.db2.gz HDIACJIXEPRBKU-CYBMUJFWSA-N 1 2 288.326 1.666 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000160335488 358247198 /nfs/dbraw/zinc/24/71/98/358247198.db2.gz HDIACJIXEPRBKU-CYBMUJFWSA-N 1 2 288.326 1.666 20 70 CDIDLO COC(=O)C1([N@H+](C)Cc2cc(=O)c(O)co2)CCCC1 ZINC000159490468 364218258 /nfs/dbraw/zinc/21/82/58/364218258.db2.gz BZXCYCJKRODZBU-UHFFFAOYSA-N 1 2 281.308 1.263 20 70 CDIDLO COC(=O)C1([N@@H+](C)Cc2cc(=O)c(O)co2)CCCC1 ZINC000159490468 364218265 /nfs/dbraw/zinc/21/82/65/364218265.db2.gz BZXCYCJKRODZBU-UHFFFAOYSA-N 1 2 281.308 1.263 20 70 CDIDLO CC[C@@H](C)OCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000160000441 364292386 /nfs/dbraw/zinc/29/23/86/364292386.db2.gz IEILLOZPKZIDCD-SECBINFHSA-N 1 2 283.397 1.885 20 70 CDIDLO CC[C@@H](C)OCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000160000441 364292392 /nfs/dbraw/zinc/29/23/92/364292392.db2.gz IEILLOZPKZIDCD-SECBINFHSA-N 1 2 283.397 1.885 20 70 CDIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1Cc2ccccc2C1 ZINC000161455184 280102775 /nfs/dbraw/zinc/10/27/75/280102775.db2.gz QLWGSTXIRIGVSX-GFCCVEGCSA-N 1 2 267.332 1.988 20 70 CDIDLO Cc1cccc([C@H]2CCC[N@@H+]2CCS(C)(=O)=O)n1 ZINC000159788856 361851140 /nfs/dbraw/zinc/85/11/40/361851140.db2.gz CHUONDXCCMOAIU-CYBMUJFWSA-N 1 2 268.382 1.572 20 70 CDIDLO Cc1cccc([C@H]2CCC[N@H+]2CCS(C)(=O)=O)n1 ZINC000159788856 361851141 /nfs/dbraw/zinc/85/11/41/361851141.db2.gz CHUONDXCCMOAIU-CYBMUJFWSA-N 1 2 268.382 1.572 20 70 CDIDLO CCc1nnc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)[nH]1 ZINC000160151841 362039644 /nfs/dbraw/zinc/03/96/44/362039644.db2.gz IRUSEQNEPHLDRR-LBPRGKRZSA-N 1 2 294.399 1.385 20 70 CDIDLO O=C(Nc1ccc(-c2nc[nH]n2)cc1)[C@H]1CSC[NH2+]1 ZINC000159500398 364222638 /nfs/dbraw/zinc/22/26/38/364222638.db2.gz CIHMRTMWXUFTHU-SNVBAGLBSA-N 1 2 275.337 1.073 20 70 CDIDLO Cc1nc2ccccn2c1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000159694132 364252751 /nfs/dbraw/zinc/25/27/51/364252751.db2.gz VSQNVXYIMVRJRA-OAHLLOKOSA-N 1 2 286.379 1.599 20 70 CDIDLO Cc1nc2ccccn2c1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000159694132 364252758 /nfs/dbraw/zinc/25/27/58/364252758.db2.gz VSQNVXYIMVRJRA-OAHLLOKOSA-N 1 2 286.379 1.599 20 70 CDIDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000159842639 364273518 /nfs/dbraw/zinc/27/35/18/364273518.db2.gz SRWPOBQOKUNXOO-RNCFNFMXSA-N 1 2 276.315 1.436 20 70 CDIDLO CC(C)c1ccc(C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000161141671 364452830 /nfs/dbraw/zinc/45/28/30/364452830.db2.gz XGUJCUQDSILLNX-UHFFFAOYSA-N 1 2 277.368 1.267 20 70 CDIDLO COC(C[N@@H+]1CCO[C@H](c2ccccc2F)C1)OC ZINC000160861440 364420968 /nfs/dbraw/zinc/42/09/68/364420968.db2.gz JQUMOCXDXSLZJH-ZDUSSCGKSA-N 1 2 269.316 1.818 20 70 CDIDLO COC(C[N@H+]1CCO[C@H](c2ccccc2F)C1)OC ZINC000160861440 364420972 /nfs/dbraw/zinc/42/09/72/364420972.db2.gz JQUMOCXDXSLZJH-ZDUSSCGKSA-N 1 2 269.316 1.818 20 70 CDIDLO CCCNC(=O)C[N@@H+](CCC)Cc1nc(CC)cc(=O)[nH]1 ZINC000160937461 364430950 /nfs/dbraw/zinc/43/09/50/364430950.db2.gz UJJDVNGPDIIGEU-UHFFFAOYSA-N 1 2 294.399 1.483 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000218230759 367261754 /nfs/dbraw/zinc/26/17/54/367261754.db2.gz MGIZQZWSXQCEJY-UHFFFAOYSA-N 1 2 274.324 1.359 20 70 CDIDLO CC[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1cnn(C)c1 ZINC000161126433 520303522 /nfs/dbraw/zinc/30/35/22/520303522.db2.gz MZUQNNOMRKDKJS-UHFFFAOYSA-N 1 2 292.305 1.263 20 70 CDIDLO CC[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1cnn(C)c1 ZINC000161126433 520303532 /nfs/dbraw/zinc/30/35/32/520303532.db2.gz MZUQNNOMRKDKJS-UHFFFAOYSA-N 1 2 292.305 1.263 20 70 CDIDLO CCNC(=O)CN(CC)Cc1[nH+]ccn1C(C)C ZINC000160750954 521736811 /nfs/dbraw/zinc/73/68/11/521736811.db2.gz ISUXFPUJUTXXHI-UHFFFAOYSA-N 1 2 252.362 1.422 20 70 CDIDLO CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159701700 361800023 /nfs/dbraw/zinc/80/00/23/361800023.db2.gz RGXMNCVDXLQUNF-AWEZNQCLSA-N 1 2 282.409 1.962 20 70 CDIDLO CCS(=O)(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159701700 361800032 /nfs/dbraw/zinc/80/00/32/361800032.db2.gz RGXMNCVDXLQUNF-AWEZNQCLSA-N 1 2 282.409 1.962 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000160806855 346609243 /nfs/dbraw/zinc/60/92/43/346609243.db2.gz ZPLCOKNIFKYRLX-KGLIPLIRSA-N 1 2 281.327 1.743 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000160806855 346609244 /nfs/dbraw/zinc/60/92/44/346609244.db2.gz ZPLCOKNIFKYRLX-KGLIPLIRSA-N 1 2 281.327 1.743 20 70 CDIDLO CN(C)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000160885147 358776826 /nfs/dbraw/zinc/77/68/26/358776826.db2.gz DZJDGSQSGOQNED-NSHDSACASA-N 1 2 285.351 1.545 20 70 CDIDLO Cc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000160078418 363646633 /nfs/dbraw/zinc/64/66/33/363646633.db2.gz QHYOUDZFCJTZJF-ZDUSSCGKSA-N 1 2 270.336 1.465 20 70 CDIDLO CC[C@@H]1C(=O)NCCN1Cc1c(C)[nH+]c2ccccn21 ZINC000160541386 363981725 /nfs/dbraw/zinc/98/17/25/363981725.db2.gz SKUVLQKBAWMEJO-GFCCVEGCSA-N 1 2 272.352 1.353 20 70 CDIDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000160541386 363981734 /nfs/dbraw/zinc/98/17/34/363981734.db2.gz SKUVLQKBAWMEJO-GFCCVEGCSA-N 1 2 272.352 1.353 20 70 CDIDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000160541386 363981738 /nfs/dbraw/zinc/98/17/38/363981738.db2.gz SKUVLQKBAWMEJO-GFCCVEGCSA-N 1 2 272.352 1.353 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000160366897 364342329 /nfs/dbraw/zinc/34/23/29/364342329.db2.gz DLAIMBGMGHOSDW-NSHDSACASA-N 1 2 265.382 1.860 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(C2CCC2)s1 ZINC000160366897 364342334 /nfs/dbraw/zinc/34/23/34/364342334.db2.gz DLAIMBGMGHOSDW-NSHDSACASA-N 1 2 265.382 1.860 20 70 CDIDLO Cc1ccc(-c2n[nH]c(NC(=O)C[NH+](C)C)c2C)o1 ZINC000161408415 364489212 /nfs/dbraw/zinc/48/92/12/364489212.db2.gz BHVIVPWLYIUQMY-UHFFFAOYSA-N 1 2 262.313 1.787 20 70 CDIDLO CCOc1ccc(C[NH2+]Cc2nncn2CC)cc1OC ZINC000218229627 140164962 /nfs/dbraw/zinc/16/49/62/140164962.db2.gz ZZJRYSKKFNQOOD-UHFFFAOYSA-N 1 2 290.367 1.995 20 70 CDIDLO CC[C@@H](C)c1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)on1 ZINC000160602364 522422197 /nfs/dbraw/zinc/42/21/97/522422197.db2.gz IAZXZLKSKAAJNM-NEPJUHHUSA-N 1 2 295.383 1.639 20 70 CDIDLO CC[C@@H](C)c1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)on1 ZINC000160602586 522422968 /nfs/dbraw/zinc/42/29/68/522422968.db2.gz IAZXZLKSKAAJNM-VXGBXAGGSA-N 1 2 295.383 1.639 20 70 CDIDLO Cc1nnc([C@H](C)SCC[NH+]2CCOCC2)o1 ZINC000159855222 361883472 /nfs/dbraw/zinc/88/34/72/361883472.db2.gz HKLXFXHTZWUIBO-VIFPVBQESA-N 1 2 257.359 1.504 20 70 CDIDLO CCc1ccc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000160557134 364374240 /nfs/dbraw/zinc/37/42/40/364374240.db2.gz SHBKOAVJPQUFDJ-LLVKDONJSA-N 1 2 271.382 1.851 20 70 CDIDLO CCc1ccc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000160557134 364374245 /nfs/dbraw/zinc/37/42/45/364374245.db2.gz SHBKOAVJPQUFDJ-LLVKDONJSA-N 1 2 271.382 1.851 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1C ZINC000161247146 364469042 /nfs/dbraw/zinc/46/90/42/364469042.db2.gz UBYKKVWFJAYQAO-ZDUSSCGKSA-N 1 2 265.357 1.646 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1C ZINC000161247146 364469045 /nfs/dbraw/zinc/46/90/45/364469045.db2.gz UBYKKVWFJAYQAO-ZDUSSCGKSA-N 1 2 265.357 1.646 20 70 CDIDLO C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161148116 367303747 /nfs/dbraw/zinc/30/37/47/367303747.db2.gz MEHQNTXKGWNZKV-UPJWGTAASA-N 1 2 277.368 1.519 20 70 CDIDLO CC[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1c(C)noc1C ZINC000160373989 391509583 /nfs/dbraw/zinc/50/95/83/391509583.db2.gz BZTIZIYIPBSEKQ-VXGBXAGGSA-N 1 2 281.356 1.189 20 70 CDIDLO CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1c(C)noc1C ZINC000160373989 391509585 /nfs/dbraw/zinc/50/95/85/391509585.db2.gz BZTIZIYIPBSEKQ-VXGBXAGGSA-N 1 2 281.356 1.189 20 70 CDIDLO O=C(NCCCOC1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161018178 527682434 /nfs/dbraw/zinc/68/24/34/527682434.db2.gz UUKKYHRPLGPDDP-ZDUSSCGKSA-N 1 2 291.395 1.911 20 70 CDIDLO c1cn(CCSc2n[nH]c(-c3cccnc3)n2)c[nH+]1 ZINC000160104592 363669782 /nfs/dbraw/zinc/66/97/82/363669782.db2.gz GENDUIOBIMGWRW-UHFFFAOYSA-N 1 2 272.337 1.856 20 70 CDIDLO c1cn(CCSc2nc(-c3cccnc3)n[nH]2)c[nH+]1 ZINC000160104592 363669784 /nfs/dbraw/zinc/66/97/84/363669784.db2.gz GENDUIOBIMGWRW-UHFFFAOYSA-N 1 2 272.337 1.856 20 70 CDIDLO Cc1ccc(C(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1 ZINC000160175192 364315058 /nfs/dbraw/zinc/31/50/58/364315058.db2.gz SFWDDKRWKXKUCE-IUODEOHRSA-N 1 2 290.363 1.142 20 70 CDIDLO Cc1ccc(C(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1 ZINC000160175192 364315065 /nfs/dbraw/zinc/31/50/65/364315065.db2.gz SFWDDKRWKXKUCE-IUODEOHRSA-N 1 2 290.363 1.142 20 70 CDIDLO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 ZINC000160981241 364434829 /nfs/dbraw/zinc/43/48/29/364434829.db2.gz BOYGFZVZEBXFAI-AWEZNQCLSA-N 1 2 278.352 1.411 20 70 CDIDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)CCS(C)(=O)=O ZINC000161006880 364436902 /nfs/dbraw/zinc/43/69/02/364436902.db2.gz YLIGHNZWAFHQMB-UHFFFAOYSA-N 1 2 297.420 1.934 20 70 CDIDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)CCS(C)(=O)=O ZINC000161006880 364436912 /nfs/dbraw/zinc/43/69/12/364436912.db2.gz YLIGHNZWAFHQMB-UHFFFAOYSA-N 1 2 297.420 1.934 20 70 CDIDLO C[C@](O)(CNC(=O)NCCn1cc[nH+]c1)c1cccs1 ZINC000160831699 364416500 /nfs/dbraw/zinc/41/65/00/364416500.db2.gz LVBCHXNLRHAPGK-ZDUSSCGKSA-N 1 2 294.380 1.152 20 70 CDIDLO CC(C)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cn1 ZINC000161199282 364462826 /nfs/dbraw/zinc/46/28/26/364462826.db2.gz BFKBEDIRASMKDZ-CYBMUJFWSA-N 1 2 291.395 1.656 20 70 CDIDLO CCOc1cc(C[NH2+]Cc2nncn2CC)ccc1OC ZINC000218225620 367261122 /nfs/dbraw/zinc/26/11/22/367261122.db2.gz ICXQIARJPQSKOI-UHFFFAOYSA-N 1 2 290.367 1.995 20 70 CDIDLO O=C(/C=C\c1nc2ccccc2o1)NCc1[nH]cc[nH+]1 ZINC000217006208 280088468 /nfs/dbraw/zinc/08/84/68/280088468.db2.gz PEFFWRDNSOQTRO-WAYWQWQTSA-N 1 2 268.276 1.881 20 70 CDIDLO O=C(CSCC[NH+]1CCOCC1)NC(C1CC1)C1CC1 ZINC000159954160 292774406 /nfs/dbraw/zinc/77/44/06/292774406.db2.gz IICQGUYFUIDYLV-UHFFFAOYSA-N 1 2 298.452 1.357 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159864909 292772216 /nfs/dbraw/zinc/77/22/16/292772216.db2.gz USXKIBHSHQPJBF-CHWSQXEVSA-N 1 2 288.457 1.745 20 70 CDIDLO CC[C@@H]1C(=O)NCCN1Cc1c[nH+]c2ccccn12 ZINC000160540962 292789118 /nfs/dbraw/zinc/78/91/18/292789118.db2.gz QBJVVIMBKVOGFW-GFCCVEGCSA-N 1 2 258.325 1.045 20 70 CDIDLO O=C(Cc1ccon1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161396255 292805244 /nfs/dbraw/zinc/80/52/44/292805244.db2.gz NYUKKIXMECCQBY-GFCCVEGCSA-N 1 2 272.308 1.007 20 70 CDIDLO CCc1ccc(/C=C/C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000161121916 523871685 /nfs/dbraw/zinc/87/16/85/523871685.db2.gz COGVKNRSWRHQLP-MFHOCJEASA-N 1 2 290.363 1.397 20 70 CDIDLO CCc1ccc(/C=C/C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000161121916 523871691 /nfs/dbraw/zinc/87/16/91/523871691.db2.gz COGVKNRSWRHQLP-MFHOCJEASA-N 1 2 290.363 1.397 20 70 CDIDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)CC[C@@H]1O ZINC000159420149 539114093 /nfs/dbraw/zinc/11/40/93/539114093.db2.gz YTWHNMUXOPWNQQ-MFKMUULPSA-N 1 2 273.336 1.126 20 70 CDIDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)CC[C@@H]1O ZINC000159420149 539114094 /nfs/dbraw/zinc/11/40/94/539114094.db2.gz YTWHNMUXOPWNQQ-MFKMUULPSA-N 1 2 273.336 1.126 20 70 CDIDLO Cc1cc(C)cc(OCC[N@@H+](C)Cc2nncn2C)c1 ZINC000160720482 346223673 /nfs/dbraw/zinc/22/36/73/346223673.db2.gz AVXKFHHJKYYFKZ-UHFFFAOYSA-N 1 2 274.368 1.943 20 70 CDIDLO Cc1cc(C)cc(OCC[N@H+](C)Cc2nncn2C)c1 ZINC000160720482 346223675 /nfs/dbraw/zinc/22/36/75/346223675.db2.gz AVXKFHHJKYYFKZ-UHFFFAOYSA-N 1 2 274.368 1.943 20 70 CDIDLO CCN(CC)C(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159828086 363357176 /nfs/dbraw/zinc/35/71/76/363357176.db2.gz IDAPKZNFWUXGTD-GFCCVEGCSA-N 1 2 274.430 1.309 20 70 CDIDLO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)[nH]1 ZINC000160190120 363739877 /nfs/dbraw/zinc/73/98/77/363739877.db2.gz LQVJOBNXTALZHR-UHFFFAOYSA-N 1 2 298.390 1.985 20 70 CDIDLO CC[C@H](C)OCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000160440297 364354299 /nfs/dbraw/zinc/35/42/99/364354299.db2.gz NOMPEYVBDFREBB-JTQLQIEISA-N 1 2 251.330 1.901 20 70 CDIDLO CCn1ccnc1C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000160802474 377119911 /nfs/dbraw/zinc/11/99/11/377119911.db2.gz COXCKLKWZLWKOP-GFCCVEGCSA-N 1 2 250.346 1.004 20 70 CDIDLO CCn1ccnc1C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000160802474 377119917 /nfs/dbraw/zinc/11/99/17/377119917.db2.gz COXCKLKWZLWKOP-GFCCVEGCSA-N 1 2 250.346 1.004 20 70 CDIDLO CCC[N@H+](Cc1cccnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161111560 377156255 /nfs/dbraw/zinc/15/62/55/377156255.db2.gz JTOIGRUHCFTICD-AWEZNQCLSA-N 1 2 282.409 1.789 20 70 CDIDLO CCC[N@@H+](Cc1cccnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161111560 377156257 /nfs/dbraw/zinc/15/62/57/377156257.db2.gz JTOIGRUHCFTICD-AWEZNQCLSA-N 1 2 282.409 1.789 20 70 CDIDLO CC(C)C(=O)NCCCNc1cc[nH+]c(C2CC2)n1 ZINC000161448899 377226393 /nfs/dbraw/zinc/22/63/93/377226393.db2.gz GLDHRZHUEHUDOU-UHFFFAOYSA-N 1 2 262.357 1.928 20 70 CDIDLO CCCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161225725 377493779 /nfs/dbraw/zinc/49/37/79/377493779.db2.gz YJROWUWLDHCNMI-CQSZACIVSA-N 1 2 290.411 1.114 20 70 CDIDLO CCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161225725 377493790 /nfs/dbraw/zinc/49/37/90/377493790.db2.gz YJROWUWLDHCNMI-CQSZACIVSA-N 1 2 290.411 1.114 20 70 CDIDLO CC1CCN(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000160560144 281797928 /nfs/dbraw/zinc/79/79/28/281797928.db2.gz LCFZOOMFDFSRMR-AWEZNQCLSA-N 1 2 281.400 1.245 20 70 CDIDLO CC(C)(C)c1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159779861 361844088 /nfs/dbraw/zinc/84/40/88/361844088.db2.gz DMIPQZJNIYIHTB-UHFFFAOYSA-N 1 2 285.413 1.933 20 70 CDIDLO C[C@H](CNC(=O)CCC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000160153018 345611053 /nfs/dbraw/zinc/61/10/53/345611053.db2.gz UFJPBTHRTWKOLH-CYBMUJFWSA-N 1 2 269.433 1.565 20 70 CDIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1cccc(F)c1 ZINC000161169159 358790067 /nfs/dbraw/zinc/79/00/67/358790067.db2.gz AKHVJWNAJOYCFX-UHFFFAOYSA-N 1 2 268.313 1.674 20 70 CDIDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1CCC(C)(C)CC1 ZINC000160096438 363666391 /nfs/dbraw/zinc/66/63/91/363666391.db2.gz ZCZDFSMOMXEKJU-CQSZACIVSA-N 1 2 295.471 1.955 20 70 CDIDLO O=C(NCCn1cc[nH+]c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000161046814 364441890 /nfs/dbraw/zinc/44/18/90/364441890.db2.gz JNHPEGMASRNXMP-ARFHVFGLSA-N 1 2 296.374 1.911 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1C ZINC000161283483 364474959 /nfs/dbraw/zinc/47/49/59/364474959.db2.gz UNFOWECPSPGUKS-GFCCVEGCSA-N 1 2 251.330 1.636 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1c[nH]nc1C ZINC000161283483 364474963 /nfs/dbraw/zinc/47/49/63/364474963.db2.gz UNFOWECPSPGUKS-GFCCVEGCSA-N 1 2 251.330 1.636 20 70 CDIDLO Cn1nccc1/C=C/C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161341849 364480614 /nfs/dbraw/zinc/48/06/14/364480614.db2.gz HCKYNEGWXBGFRP-GFUIURDCSA-N 1 2 297.362 1.223 20 70 CDIDLO CC(C)c1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000160312706 377056700 /nfs/dbraw/zinc/05/67/00/377056700.db2.gz KTHMOMQBMZXELH-SNVBAGLBSA-N 1 2 253.371 1.716 20 70 CDIDLO CC(C)c1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000160312706 377056707 /nfs/dbraw/zinc/05/67/07/377056707.db2.gz KTHMOMQBMZXELH-SNVBAGLBSA-N 1 2 253.371 1.716 20 70 CDIDLO CCc1nnc(C[NH2+][C@H](CCO)c2ccc(OC)cc2)[nH]1 ZINC000160290521 390978518 /nfs/dbraw/zinc/97/85/18/390978518.db2.gz ZMILEINILZWLRX-CYBMUJFWSA-N 1 2 290.367 1.589 20 70 CDIDLO CCC(CC)n1nccc1C(=O)NCC[NH+]1CCOCC1 ZINC000160748427 528913108 /nfs/dbraw/zinc/91/31/08/528913108.db2.gz KFWYNSJSSKVHAD-UHFFFAOYSA-N 1 2 294.399 1.306 20 70 CDIDLO C(C[NH+]1CCOCC1)SCc1noc(C2CC2)n1 ZINC000159855750 345280152 /nfs/dbraw/zinc/28/01/52/345280152.db2.gz GJZDEIXHPCALDF-UHFFFAOYSA-N 1 2 269.370 1.512 20 70 CDIDLO CCOC(=O)NCCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000160440575 364353746 /nfs/dbraw/zinc/35/37/46/364353746.db2.gz RLDWGACPWDUMPV-UHFFFAOYSA-N 1 2 294.355 1.612 20 70 CDIDLO C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000161409099 288002384 /nfs/dbraw/zinc/00/23/84/288002384.db2.gz CQTABNOBLFCCPU-MNOVXSKESA-N 1 2 265.382 1.409 20 70 CDIDLO CC(C)CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160841287 519668544 /nfs/dbraw/zinc/66/85/44/519668544.db2.gz KDNIBZISLXWRRN-ZDUSSCGKSA-N 1 2 279.384 1.624 20 70 CDIDLO COC(=O)[C@H]1C[C@@H](OC)CN1Cc1c[nH+]c2ccccn12 ZINC000160465665 523983112 /nfs/dbraw/zinc/98/31/12/523983112.db2.gz IOJBBWVZGHVVNM-CHWSQXEVSA-N 1 2 289.335 1.097 20 70 CDIDLO O=C(NC[C@H]1Cc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000160115669 539115441 /nfs/dbraw/zinc/11/54/41/539115441.db2.gz VGOLRPQOYJUWEU-UONOGXRCSA-N 1 2 281.359 1.902 20 70 CDIDLO CC[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1c(C)noc1C ZINC000160373867 391509630 /nfs/dbraw/zinc/50/96/30/391509630.db2.gz BZTIZIYIPBSEKQ-NWDGAFQWSA-N 1 2 281.356 1.189 20 70 CDIDLO CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1c(C)noc1C ZINC000160373867 391509633 /nfs/dbraw/zinc/50/96/33/391509633.db2.gz BZTIZIYIPBSEKQ-NWDGAFQWSA-N 1 2 281.356 1.189 20 70 CDIDLO C[C@@H](O)[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000160894465 292796032 /nfs/dbraw/zinc/79/60/32/292796032.db2.gz PIKKFTZHZBIQIS-CHWSQXEVSA-N 1 2 280.372 1.076 20 70 CDIDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)OCO2 ZINC000160457916 523900737 /nfs/dbraw/zinc/90/07/37/523900737.db2.gz FHDFVGDGVGRDIC-LLVKDONJSA-N 1 2 299.330 1.837 20 70 CDIDLO O=C(Nc1cccnc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160955468 527443736 /nfs/dbraw/zinc/44/37/36/527443736.db2.gz YUNXNGDFEMVFNK-ZDUSSCGKSA-N 1 2 283.335 1.877 20 70 CDIDLO CCn1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000159709213 361805809 /nfs/dbraw/zinc/80/58/09/361805809.db2.gz NMAYADLTMWICAW-JTQLQIEISA-N 1 2 259.313 1.301 20 70 CDIDLO CCN(CCCO)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000160499429 362433960 /nfs/dbraw/zinc/43/39/60/362433960.db2.gz YKXYBWWAIDIZKH-UHFFFAOYSA-N 1 2 261.325 1.108 20 70 CDIDLO COCCOCCCCNc1[nH+]cccc1OC ZINC000159396253 344874794 /nfs/dbraw/zinc/87/47/94/344874794.db2.gz YTLAKXRXTIAHJN-UHFFFAOYSA-N 1 2 254.330 1.945 20 70 CDIDLO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1CSC[NH2+]1 ZINC000159601209 364240660 /nfs/dbraw/zinc/24/06/60/364240660.db2.gz OHMMWLRDOMKQHN-LBPRGKRZSA-N 1 2 276.361 1.807 20 70 CDIDLO CC[N@H+](Cc1scnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160580890 364377748 /nfs/dbraw/zinc/37/77/48/364377748.db2.gz OZAVLZPKBSNWEG-SNVBAGLBSA-N 1 2 274.411 1.461 20 70 CDIDLO CC[N@@H+](Cc1scnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160580890 364377752 /nfs/dbraw/zinc/37/77/52/364377752.db2.gz OZAVLZPKBSNWEG-SNVBAGLBSA-N 1 2 274.411 1.461 20 70 CDIDLO C[C@@H](C[NH+]1CCOCC1)Nc1nnc(C2CC2)s1 ZINC000160289290 364597462 /nfs/dbraw/zinc/59/74/62/364597462.db2.gz DHPROORHNVAWAW-VIFPVBQESA-N 1 2 268.386 1.548 20 70 CDIDLO Cc1c(C(=O)NCc2[nH]cc[nH+]2)cnn1CCC(C)C ZINC000159744033 533798077 /nfs/dbraw/zinc/79/80/77/533798077.db2.gz INYLAJCIKYJNSW-UHFFFAOYSA-N 1 2 275.356 1.891 20 70 CDIDLO CC1(C)C[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160627881 520564189 /nfs/dbraw/zinc/56/41/89/520564189.db2.gz GPOVTZDWXCJVCE-WFASDCNBSA-N 1 2 298.452 1.357 20 70 CDIDLO Cn1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160364332 527269736 /nfs/dbraw/zinc/26/97/36/527269736.db2.gz VNXMBQDCGKPLCU-NSHDSACASA-N 1 2 286.339 1.216 20 70 CDIDLO CC(C)c1nc(N(C)C[C@H]2CCCOC2)nc(N(C)C)[nH+]1 ZINC000159615760 539114478 /nfs/dbraw/zinc/11/44/78/539114478.db2.gz QJIGLJQGIVVCAL-GFCCVEGCSA-N 1 2 293.415 1.924 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N(C)C[C@H]2CCCOC2)[nH+]1 ZINC000159615760 539114479 /nfs/dbraw/zinc/11/44/79/539114479.db2.gz QJIGLJQGIVVCAL-GFCCVEGCSA-N 1 2 293.415 1.924 20 70 CDIDLO CCN(CC)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161076287 362564308 /nfs/dbraw/zinc/56/43/08/362564308.db2.gz IBBWTHQLVPRCCN-UHFFFAOYSA-N 1 2 252.362 1.110 20 70 CDIDLO CCN(CC)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161076287 362564314 /nfs/dbraw/zinc/56/43/14/362564314.db2.gz IBBWTHQLVPRCCN-UHFFFAOYSA-N 1 2 252.362 1.110 20 70 CDIDLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1OCCc2ccccc21 ZINC000159745157 363270024 /nfs/dbraw/zinc/27/00/24/363270024.db2.gz GAFCDYJVWLZTQC-CYBMUJFWSA-N 1 2 257.293 1.340 20 70 CDIDLO Cn1ccnc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000160726499 360833510 /nfs/dbraw/zinc/83/35/10/360833510.db2.gz OTFHTVFVORIPMC-UHFFFAOYSA-N 1 2 272.352 1.298 20 70 CDIDLO Cn1ccnc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000160726499 360833511 /nfs/dbraw/zinc/83/35/11/360833511.db2.gz OTFHTVFVORIPMC-UHFFFAOYSA-N 1 2 272.352 1.298 20 70 CDIDLO O=C(NCc1ccccc1CO)[C@H]1CCn2cc[nH+]c2C1 ZINC000160281182 363806894 /nfs/dbraw/zinc/80/68/94/363806894.db2.gz YXYZFNFGGRHNRC-LBPRGKRZSA-N 1 2 285.347 1.254 20 70 CDIDLO COC(=O)[C@@](C)(NCc1c[nH+]c2ccccn12)C1CC1 ZINC000160606491 364087146 /nfs/dbraw/zinc/08/71/46/364087146.db2.gz WOFOBUJNTVVYTF-HNNXBMFYSA-N 1 2 273.336 1.766 20 70 CDIDLO COC(=O)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231656 364321281 /nfs/dbraw/zinc/32/12/81/364321281.db2.gz SVAPNIODIZAXIK-GFCCVEGCSA-N 1 2 295.314 1.195 20 70 CDIDLO COC(=O)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231656 364321287 /nfs/dbraw/zinc/32/12/87/364321287.db2.gz SVAPNIODIZAXIK-GFCCVEGCSA-N 1 2 295.314 1.195 20 70 CDIDLO CC(C)OC(=O)CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000160042763 364299573 /nfs/dbraw/zinc/29/95/73/364299573.db2.gz DRQXFEQVUODBKJ-UHFFFAOYSA-N 1 2 296.371 1.293 20 70 CDIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCCCO1 ZINC000160682194 364393711 /nfs/dbraw/zinc/39/37/11/364393711.db2.gz QAWAEHWEXXTEOP-AWEZNQCLSA-N 1 2 289.379 1.867 20 70 CDIDLO CCOC(=O)CCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000161210656 364464182 /nfs/dbraw/zinc/46/41/82/364464182.db2.gz SMGTUPMUDHEWCR-UHFFFAOYSA-N 1 2 291.395 1.543 20 70 CDIDLO CN(C)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000160885015 522234075 /nfs/dbraw/zinc/23/40/75/522234075.db2.gz DZJDGSQSGOQNED-LLVKDONJSA-N 1 2 285.351 1.545 20 70 CDIDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)OCO2 ZINC000160458052 523910129 /nfs/dbraw/zinc/91/01/29/523910129.db2.gz FHDFVGDGVGRDIC-NSHDSACASA-N 1 2 299.330 1.837 20 70 CDIDLO COc1ccnc(NC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000161420065 539117711 /nfs/dbraw/zinc/11/77/11/539117711.db2.gz SZHMONSXFRUXNM-JTQLQIEISA-N 1 2 281.381 1.466 20 70 CDIDLO CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)C(=O)OC ZINC000159539224 362337832 /nfs/dbraw/zinc/33/78/32/362337832.db2.gz OQVWOAFMQGGKLJ-ZDUSSCGKSA-N 1 2 278.352 1.266 20 70 CDIDLO CCOCCC1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000159485080 361712133 /nfs/dbraw/zinc/71/21/33/361712133.db2.gz GTCJPBKGCQHFGQ-ZDUSSCGKSA-N 1 2 291.395 1.769 20 70 CDIDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161481248 373761140 /nfs/dbraw/zinc/76/11/40/373761140.db2.gz WAPLBMWCBVTOIE-VIFPVBQESA-N 1 2 257.359 1.716 20 70 CDIDLO CO[C@@H](C)c1noc(C[N@H+]2CCCSCC2)n1 ZINC000161481248 373761151 /nfs/dbraw/zinc/76/11/51/373761151.db2.gz WAPLBMWCBVTOIE-VIFPVBQESA-N 1 2 257.359 1.716 20 70 CDIDLO CC(C)CNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159918953 292773785 /nfs/dbraw/zinc/77/37/85/292773785.db2.gz BLSMAPZYWGBCMG-GFCCVEGCSA-N 1 2 274.430 1.213 20 70 CDIDLO C[C@H]([C@H](C)NC(=O)NC1(C)CCC1)[NH+]1CCOCC1 ZINC000160850313 292795339 /nfs/dbraw/zinc/79/53/39/292795339.db2.gz VNHDIFIMHWMZHA-NWDGAFQWSA-N 1 2 269.389 1.337 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000160370601 527004724 /nfs/dbraw/zinc/00/47/24/527004724.db2.gz JHQWGXNGTDQPOA-LLVKDONJSA-N 1 2 256.708 1.929 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000160370601 527004730 /nfs/dbraw/zinc/00/47/30/527004730.db2.gz JHQWGXNGTDQPOA-LLVKDONJSA-N 1 2 256.708 1.929 20 70 CDIDLO COCC[N@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160685232 360773840 /nfs/dbraw/zinc/77/38/40/360773840.db2.gz XELREJUWQBWJMO-UHFFFAOYSA-N 1 2 260.341 1.464 20 70 CDIDLO COCC[N@@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160685232 360773843 /nfs/dbraw/zinc/77/38/43/360773843.db2.gz XELREJUWQBWJMO-UHFFFAOYSA-N 1 2 260.341 1.464 20 70 CDIDLO O=C(NC[C@H]1CCCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160483210 363932277 /nfs/dbraw/zinc/93/22/77/363932277.db2.gz OMVOSNUYBYQNOP-NWDGAFQWSA-N 1 2 263.341 1.131 20 70 CDIDLO COc1ccc(C[N@@H+]2CCNC(=O)C2)c2ccccc12 ZINC000160513427 363965489 /nfs/dbraw/zinc/96/54/89/363965489.db2.gz OJOZXHHMFIZIJP-UHFFFAOYSA-N 1 2 270.332 1.780 20 70 CDIDLO COc1ccc(C[N@H+]2CCNC(=O)C2)c2ccccc12 ZINC000160513427 363965495 /nfs/dbraw/zinc/96/54/95/363965495.db2.gz OJOZXHHMFIZIJP-UHFFFAOYSA-N 1 2 270.332 1.780 20 70 CDIDLO O=C(NCC[NH+]1CCCCC1)c1cccc(-c2nnc[nH]2)c1 ZINC000160486680 364361802 /nfs/dbraw/zinc/36/18/02/364361802.db2.gz YZILHZIQWQSRLO-UHFFFAOYSA-N 1 2 299.378 1.687 20 70 CDIDLO COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1Cl ZINC000160724229 364401058 /nfs/dbraw/zinc/40/10/58/364401058.db2.gz YWDUCHSZKDYDEE-LLVKDONJSA-N 1 2 295.770 1.558 20 70 CDIDLO COc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1Cl ZINC000160724229 364401063 /nfs/dbraw/zinc/40/10/63/364401063.db2.gz YWDUCHSZKDYDEE-LLVKDONJSA-N 1 2 295.770 1.558 20 70 CDIDLO Cc1cc(NCCC(=O)NCc2ccccn2)nc[nH+]1 ZINC000161021744 377147828 /nfs/dbraw/zinc/14/78/28/377147828.db2.gz ZHMDCULHWIRSEG-UHFFFAOYSA-N 1 2 271.324 1.298 20 70 CDIDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)ncn1 ZINC000161433171 377629637 /nfs/dbraw/zinc/62/96/37/377629637.db2.gz FHVNXUKRVFGFJG-UHFFFAOYSA-N 1 2 297.362 1.138 20 70 CDIDLO O=C(NCC(F)F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159609041 390975966 /nfs/dbraw/zinc/97/59/66/390975966.db2.gz FRBCPHLBZHVGFF-UHFFFAOYSA-N 1 2 284.310 1.174 20 70 CDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC000159788893 292769631 /nfs/dbraw/zinc/76/96/31/292769631.db2.gz RULRKNBODOVWLN-NSHDSACASA-N 1 2 274.430 1.355 20 70 CDIDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 ZINC000160996471 292797880 /nfs/dbraw/zinc/79/78/80/292797880.db2.gz LNWCODKEISFOTF-HNNXBMFYSA-N 1 2 292.379 1.665 20 70 CDIDLO Cc1nc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000160086438 539115375 /nfs/dbraw/zinc/11/53/75/539115375.db2.gz DZGDAZRYHUUEMQ-SNVBAGLBSA-N 1 2 276.365 1.527 20 70 CDIDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000160111103 363671327 /nfs/dbraw/zinc/67/13/27/363671327.db2.gz JAFHYFXQIDNBLO-KGLIPLIRSA-N 1 2 297.443 1.624 20 70 CDIDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000160111103 363671332 /nfs/dbraw/zinc/67/13/32/363671332.db2.gz JAFHYFXQIDNBLO-KGLIPLIRSA-N 1 2 297.443 1.624 20 70 CDIDLO Cn1cnnc1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000160691660 360788612 /nfs/dbraw/zinc/78/86/12/360788612.db2.gz PEEKIHBNLFKOCP-UHFFFAOYSA-N 1 2 280.759 1.979 20 70 CDIDLO Cn1cnnc1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000160691660 360788618 /nfs/dbraw/zinc/78/86/18/360788618.db2.gz PEEKIHBNLFKOCP-UHFFFAOYSA-N 1 2 280.759 1.979 20 70 CDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1C ZINC000159816056 364270446 /nfs/dbraw/zinc/27/04/46/364270446.db2.gz MKZYKGDPMUCKQA-AWEZNQCLSA-N 1 2 290.363 1.167 20 70 CDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1C ZINC000159816056 364270451 /nfs/dbraw/zinc/27/04/51/364270451.db2.gz MKZYKGDPMUCKQA-AWEZNQCLSA-N 1 2 290.363 1.167 20 70 CDIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000160733238 364402513 /nfs/dbraw/zinc/40/25/13/364402513.db2.gz LGTUHRLFRYIWGR-CMPLNLGQSA-N 1 2 296.392 1.156 20 70 CDIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000160733238 364402520 /nfs/dbraw/zinc/40/25/20/364402520.db2.gz LGTUHRLFRYIWGR-CMPLNLGQSA-N 1 2 296.392 1.156 20 70 CDIDLO C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000161408839 398127824 /nfs/dbraw/zinc/12/78/24/398127824.db2.gz CQTABNOBLFCCPU-GHMZBOCLSA-N 1 2 265.382 1.409 20 70 CDIDLO Cc1ncccc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161026681 292798529 /nfs/dbraw/zinc/79/85/29/292798529.db2.gz MHAOTTPCYTYXIW-OAHLLOKOSA-N 1 2 289.379 1.213 20 70 CDIDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000160755797 527431227 /nfs/dbraw/zinc/43/12/27/527431227.db2.gz XXEUHULQLDWBKE-UHFFFAOYSA-N 1 2 298.390 1.768 20 70 CDIDLO CC(C)c1nc(N(C)[C@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000159594838 539114432 /nfs/dbraw/zinc/11/44/32/539114432.db2.gz UINJEYRVPUEPTO-JTQLQIEISA-N 1 2 265.361 1.286 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N(C)[C@H]2CCOC2)[nH+]1 ZINC000159594838 539114433 /nfs/dbraw/zinc/11/44/33/539114433.db2.gz UINJEYRVPUEPTO-JTQLQIEISA-N 1 2 265.361 1.286 20 70 CDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000159846385 363377592 /nfs/dbraw/zinc/37/75/92/363377592.db2.gz QQDAHYMLZSRMPI-NSHDSACASA-N 1 2 275.414 1.782 20 70 CDIDLO CCC[C@](C)(O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159479455 361710370 /nfs/dbraw/zinc/71/03/70/361710370.db2.gz QBUSRONNKKQPGO-BBRMVZONSA-N 1 2 293.411 1.752 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000161016241 364438149 /nfs/dbraw/zinc/43/81/49/364438149.db2.gz RGMOQPMBJSZFOO-SNVBAGLBSA-N 1 2 265.357 1.744 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C)OC(C)(C)C2)n1 ZINC000161016241 364438158 /nfs/dbraw/zinc/43/81/58/364438158.db2.gz RGMOQPMBJSZFOO-SNVBAGLBSA-N 1 2 265.357 1.744 20 70 CDIDLO CCc1nnc(C[N@H+](CCO)Cc2ccc(C)cc2)[nH]1 ZINC000161495781 364502074 /nfs/dbraw/zinc/50/20/74/364502074.db2.gz WVPLMGIOXGGHQH-UHFFFAOYSA-N 1 2 274.368 1.670 20 70 CDIDLO CCc1nnc(C[N@@H+](CCO)Cc2ccc(C)cc2)[nH]1 ZINC000161495781 364502083 /nfs/dbraw/zinc/50/20/83/364502083.db2.gz WVPLMGIOXGGHQH-UHFFFAOYSA-N 1 2 274.368 1.670 20 70 CDIDLO CCCNC(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000161168071 292801169 /nfs/dbraw/zinc/80/11/69/292801169.db2.gz SIJXDZIACNBGSB-UHFFFAOYSA-N 1 2 276.384 1.038 20 70 CDIDLO CCC(=O)N1CCC[N@H+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160955579 521105347 /nfs/dbraw/zinc/10/53/47/521105347.db2.gz ZERFKSMNGJYOPP-UHFFFAOYSA-N 1 2 292.383 1.189 20 70 CDIDLO CCC(=O)N1CCC[N@@H+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160955579 521105355 /nfs/dbraw/zinc/10/53/55/521105355.db2.gz ZERFKSMNGJYOPP-UHFFFAOYSA-N 1 2 292.383 1.189 20 70 CDIDLO COc1cc(NCc2[nH]cc[nH+]2)ccc1NS(C)(=O)=O ZINC000159900008 361905445 /nfs/dbraw/zinc/90/54/45/361905445.db2.gz XUVIFATUSSFALC-UHFFFAOYSA-N 1 2 296.352 1.402 20 70 CDIDLO CC(=O)N1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000159549263 362271783 /nfs/dbraw/zinc/27/17/83/362271783.db2.gz JSAQZZHQVJNEBQ-AWEZNQCLSA-N 1 2 298.346 1.223 20 70 CDIDLO O=C(NCCCn1cc[nH+]c1)c1ccnc(Cl)c1F ZINC000160747101 364405991 /nfs/dbraw/zinc/40/59/91/364405991.db2.gz BVRONXFBDUNNEW-UHFFFAOYSA-N 1 2 282.706 1.891 20 70 CDIDLO COC(=O)c1csc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000161105407 366920332 /nfs/dbraw/zinc/92/03/32/366920332.db2.gz ZMYWCFUXXVHCKQ-UHFFFAOYSA-N 1 2 294.336 1.553 20 70 CDIDLO c1cn(C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000160241261 377040721 /nfs/dbraw/zinc/04/07/21/377040721.db2.gz XATVEXUURGSXDJ-UHFFFAOYSA-N 1 2 268.324 1.996 20 70 CDIDLO CN(CC[NH+]1CCOCC1)C(=O)C1CCC(C)(C)CC1 ZINC000159855910 292772244 /nfs/dbraw/zinc/77/22/44/292772244.db2.gz LMJBPNMHQKKMTE-UHFFFAOYSA-N 1 2 282.428 1.993 20 70 CDIDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCOC[C@@H]1C1CC1 ZINC000161317142 292803920 /nfs/dbraw/zinc/80/39/20/292803920.db2.gz VTQHFWNNYZLUFL-TZMCWYRMSA-N 1 2 275.352 1.083 20 70 CDIDLO COCCC[N@H+](CCOC)Cc1nccn1C(C)C ZINC000160826188 523258362 /nfs/dbraw/zinc/25/83/62/523258362.db2.gz XYOJXIZLIFXLQN-UHFFFAOYSA-N 1 2 269.389 1.949 20 70 CDIDLO COCCC[N@@H+](CCOC)Cc1nccn1C(C)C ZINC000160826188 523258373 /nfs/dbraw/zinc/25/83/73/523258373.db2.gz XYOJXIZLIFXLQN-UHFFFAOYSA-N 1 2 269.389 1.949 20 70 CDIDLO CCOC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000159745278 361823967 /nfs/dbraw/zinc/82/39/67/361823967.db2.gz VXEQLQIISQYBCC-UHFFFAOYSA-N 1 2 296.411 1.710 20 70 CDIDLO CC(C)=CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000160845990 362184368 /nfs/dbraw/zinc/18/43/68/362184368.db2.gz YBVDMZALFIATOZ-ZIAGYGMSSA-N 1 2 287.425 1.621 20 70 CDIDLO CC(C)=CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000160845990 362184374 /nfs/dbraw/zinc/18/43/74/362184374.db2.gz YBVDMZALFIATOZ-ZIAGYGMSSA-N 1 2 287.425 1.621 20 70 CDIDLO Cc1cccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1F ZINC000161465722 363036875 /nfs/dbraw/zinc/03/68/75/363036875.db2.gz JRFSQADBYLTEET-GFCCVEGCSA-N 1 2 280.343 1.585 20 70 CDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCC1 ZINC000159797866 363315315 /nfs/dbraw/zinc/31/53/15/363315315.db2.gz NKCXBIQNKZDSJM-GFCCVEGCSA-N 1 2 286.441 1.499 20 70 CDIDLO CCc1nnc(C[NH2+][C@]2(CO)CCc3ccccc32)[nH]1 ZINC000159402752 361688047 /nfs/dbraw/zinc/68/80/47/361688047.db2.gz HUKYTWHWFZSAJN-HNNXBMFYSA-N 1 2 272.352 1.291 20 70 CDIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159512230 364223252 /nfs/dbraw/zinc/22/32/52/364223252.db2.gz ZKZNEKMAWJZVNZ-DOMZBBRYSA-N 1 2 299.374 1.998 20 70 CDIDLO CCc1ncc(NC(=O)NCCn2cc[nH+]c2)cn1 ZINC000161190218 367556073 /nfs/dbraw/zinc/55/60/73/367556073.db2.gz GTOHWUVXHXGQCU-UHFFFAOYSA-N 1 2 260.301 1.057 20 70 CDIDLO CSC[C@@](C)(O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000217672663 376010986 /nfs/dbraw/zinc/01/09/86/376010986.db2.gz DDDZOLATZZYJBC-AWEZNQCLSA-N 1 2 293.392 1.107 20 70 CDIDLO CC[C@@](C)([NH2+]Cc1noc(-c2ccsc2)n1)C(N)=O ZINC000161109753 523659646 /nfs/dbraw/zinc/65/96/46/523659646.db2.gz ZAIASVRCUBSWLO-GFCCVEGCSA-N 1 2 280.353 1.542 20 70 CDIDLO O=C(Nc1cccnc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160955598 527442228 /nfs/dbraw/zinc/44/22/28/527442228.db2.gz YUNXNGDFEMVFNK-CYBMUJFWSA-N 1 2 283.335 1.877 20 70 CDIDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(S(=O)(=O)F)ccn1 ZINC001164637454 719256326 /nfs/dbraw/zinc/25/63/26/719256326.db2.gz VOJBFYXJCIDFKD-UWVGGRQHSA-N 1 2 287.360 1.269 20 70 CDIDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(S(=O)(=O)F)ccn1 ZINC001164637454 719256331 /nfs/dbraw/zinc/25/63/31/719256331.db2.gz VOJBFYXJCIDFKD-UWVGGRQHSA-N 1 2 287.360 1.269 20 70 CDIDLO CCCOC(=O)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159591673 188433237 /nfs/dbraw/zinc/43/32/37/188433237.db2.gz LJYLDJIIOXXCBF-UHFFFAOYSA-N 1 2 295.387 1.816 20 70 CDIDLO Cc1nc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000160086558 538847813 /nfs/dbraw/zinc/84/78/13/538847813.db2.gz DZGDAZRYHUUEMQ-JTQLQIEISA-N 1 2 276.365 1.527 20 70 CDIDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc2nc[nH]c2n1 ZINC000160098549 363668078 /nfs/dbraw/zinc/66/80/78/363668078.db2.gz WZXSETIZTFWYCT-UHFFFAOYSA-N 1 2 282.307 1.671 20 70 CDIDLO CCc1nnc(C[NH2+][C@@]2(CO)CCc3ccccc32)[nH]1 ZINC000159402889 361687922 /nfs/dbraw/zinc/68/79/22/361687922.db2.gz HUKYTWHWFZSAJN-OAHLLOKOSA-N 1 2 272.352 1.291 20 70 CDIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(c2nc(C)no2)CC1 ZINC000159495912 361720385 /nfs/dbraw/zinc/72/03/85/361720385.db2.gz BUZUSHGURNNMPM-JTQLQIEISA-N 1 2 281.356 1.899 20 70 CDIDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC2(CCC2)C1 ZINC000159391594 364198767 /nfs/dbraw/zinc/19/87/67/364198767.db2.gz RHFJYKQYOFHJGH-UHFFFAOYSA-N 1 2 289.335 1.431 20 70 CDIDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159557377 364233243 /nfs/dbraw/zinc/23/32/43/364233243.db2.gz NGIMQEISYBULRW-KGLIPLIRSA-N 1 2 291.347 1.176 20 70 CDIDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159557377 364233250 /nfs/dbraw/zinc/23/32/50/364233250.db2.gz NGIMQEISYBULRW-KGLIPLIRSA-N 1 2 291.347 1.176 20 70 CDIDLO CCCCOC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161173021 364459872 /nfs/dbraw/zinc/45/98/72/364459872.db2.gz KGOPXWWQLKFWFN-UHFFFAOYSA-N 1 2 291.395 1.543 20 70 CDIDLO CN(C)c1[nH+]cccc1NC(=O)/C=C/c1cncc(O)c1 ZINC000161456152 377647885 /nfs/dbraw/zinc/64/78/85/377647885.db2.gz OLTSVFPBRPHVTL-AATRIKPKSA-N 1 2 284.319 1.900 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159865036 292772178 /nfs/dbraw/zinc/77/21/78/292772178.db2.gz USXKIBHSHQPJBF-QWHCGFSZSA-N 1 2 288.457 1.745 20 70 CDIDLO COC(=O)[C@H]1C[C@H](OC)CN1Cc1c[nH+]c2ccccn12 ZINC000160465783 523991650 /nfs/dbraw/zinc/99/16/50/523991650.db2.gz IOJBBWVZGHVVNM-QWHCGFSZSA-N 1 2 289.335 1.097 20 70 CDIDLO Cn1cnnc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000160836065 362181447 /nfs/dbraw/zinc/18/14/47/362181447.db2.gz GRSWRDUGYXHWOS-OAHLLOKOSA-N 1 2 286.379 1.996 20 70 CDIDLO Cn1cnnc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000160836065 362181452 /nfs/dbraw/zinc/18/14/52/362181452.db2.gz GRSWRDUGYXHWOS-OAHLLOKOSA-N 1 2 286.379 1.996 20 70 CDIDLO CC[C@H](C)CS(=O)(=O)N(CCOC)c1cc[nH+]cc1 ZINC000161078343 362560332 /nfs/dbraw/zinc/56/03/32/362560332.db2.gz CNPIRCOVHKOPAP-LBPRGKRZSA-N 1 2 286.397 1.910 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000218221633 367261447 /nfs/dbraw/zinc/26/14/47/367261447.db2.gz UPZMJARVMZRNAN-UHFFFAOYSA-N 1 2 282.351 1.774 20 70 CDIDLO Cc1[nH]nc2ncc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc12 ZINC000160470043 369760968 /nfs/dbraw/zinc/76/09/68/369760968.db2.gz SVMJZDTUPLWFLK-SNVBAGLBSA-N 1 2 296.334 1.664 20 70 CDIDLO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1nc(C(C)(C)C)no1 ZINC000161274427 377201282 /nfs/dbraw/zinc/20/12/82/377201282.db2.gz KJUHWBIHSIKDDX-DTWKUNHWSA-N 1 2 266.345 1.248 20 70 CDIDLO O=C(NCc1ccccc1CO)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160281058 292782339 /nfs/dbraw/zinc/78/23/39/292782339.db2.gz YXYZFNFGGRHNRC-GFCCVEGCSA-N 1 2 285.347 1.254 20 70 CDIDLO CC[C@H](C)c1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)on1 ZINC000160215319 362057188 /nfs/dbraw/zinc/05/71/88/362057188.db2.gz VQVXCZMQOOSYHB-RYUDHWBXSA-N 1 2 295.383 1.639 20 70 CDIDLO Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cn1 ZINC000161299477 538853516 /nfs/dbraw/zinc/85/35/16/538853516.db2.gz WLFZUGJMMMDRAH-UHFFFAOYSA-N 1 2 259.313 1.798 20 70 CDIDLO C(c1noc(C2CCOCC2)n1)[N@@H+]1CCCSCC1 ZINC000161478311 482879997 /nfs/dbraw/zinc/87/99/97/482879997.db2.gz IMTRGWCUWPTSNR-UHFFFAOYSA-N 1 2 283.397 1.903 20 70 CDIDLO C(c1noc(C2CCOCC2)n1)[N@H+]1CCCSCC1 ZINC000161478311 482880002 /nfs/dbraw/zinc/88/00/02/482880002.db2.gz IMTRGWCUWPTSNR-UHFFFAOYSA-N 1 2 283.397 1.903 20 70 CDIDLO Cc1[nH]ncc1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000159685691 364250810 /nfs/dbraw/zinc/25/08/10/364250810.db2.gz HSXVULOFHIRTHL-ZDUSSCGKSA-N 1 2 266.389 1.353 20 70 CDIDLO Cc1c(/C=C/C(=O)Nc2ccc[nH+]c2N(C)C)cnn1C ZINC000160790626 364409610 /nfs/dbraw/zinc/40/96/10/364409610.db2.gz MMDULZZGRSFDML-BQYQJAHWSA-N 1 2 285.351 1.841 20 70 CDIDLO COc1ccnc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000161445030 373752483 /nfs/dbraw/zinc/75/24/83/373752483.db2.gz OGXGUUFJIWBELK-SNVBAGLBSA-N 1 2 272.308 1.488 20 70 CDIDLO CN(C)C(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159674855 390940840 /nfs/dbraw/zinc/94/08/40/390940840.db2.gz UTRXENSGSKQHBI-INIZCTEOSA-N 1 2 274.364 1.249 20 70 CDIDLO CN(C)C(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159674855 390940841 /nfs/dbraw/zinc/94/08/41/390940841.db2.gz UTRXENSGSKQHBI-INIZCTEOSA-N 1 2 274.364 1.249 20 70 CDIDLO CCc1nnc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)[nH]1 ZINC000160678836 522287982 /nfs/dbraw/zinc/28/79/82/522287982.db2.gz OEKPKPWGVWESHL-QWRGUYRKSA-N 1 2 252.362 1.350 20 70 CDIDLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)[nH]1 ZINC000160678836 522287992 /nfs/dbraw/zinc/28/79/92/522287992.db2.gz OEKPKPWGVWESHL-QWRGUYRKSA-N 1 2 252.362 1.350 20 70 CDIDLO COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1c[nH+]c2ccccn12 ZINC000160465873 523768383 /nfs/dbraw/zinc/76/83/83/523768383.db2.gz IOJBBWVZGHVVNM-OLZOCXBDSA-N 1 2 289.335 1.097 20 70 CDIDLO CCOCCC1(C(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000160747362 528603326 /nfs/dbraw/zinc/60/33/26/528603326.db2.gz YLQDCTPLUUNEIX-UHFFFAOYSA-N 1 2 284.400 1.032 20 70 CDIDLO CC[C@](C)(CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160386886 539115814 /nfs/dbraw/zinc/11/58/14/539115814.db2.gz TXXDSWSHANHEGC-CYBMUJFWSA-N 1 2 267.377 1.634 20 70 CDIDLO CC[C@](C)(CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160386886 539115815 /nfs/dbraw/zinc/11/58/15/539115815.db2.gz TXXDSWSHANHEGC-CYBMUJFWSA-N 1 2 267.377 1.634 20 70 CDIDLO O=C([C@@H]1CCCCO1)N1CC[NH+](Cc2cccs2)CC1 ZINC000161044911 539117141 /nfs/dbraw/zinc/11/71/41/539117141.db2.gz XCTLWPXIXWGWHK-AWEZNQCLSA-N 1 2 294.420 1.961 20 70 CDIDLO Cn1cnnc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000160835926 362181890 /nfs/dbraw/zinc/18/18/90/362181890.db2.gz GRSWRDUGYXHWOS-HNNXBMFYSA-N 1 2 286.379 1.996 20 70 CDIDLO Cn1cnnc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000160835926 362181897 /nfs/dbraw/zinc/18/18/97/362181897.db2.gz GRSWRDUGYXHWOS-HNNXBMFYSA-N 1 2 286.379 1.996 20 70 CDIDLO COCC[N@H+](CCCc1ccccc1)Cc1nncn1C ZINC000160865404 362191589 /nfs/dbraw/zinc/19/15/89/362191589.db2.gz MIUPSSCFGGTFDM-UHFFFAOYSA-N 1 2 288.395 1.896 20 70 CDIDLO COCC[N@@H+](CCCc1ccccc1)Cc1nncn1C ZINC000160865404 362191594 /nfs/dbraw/zinc/19/15/94/362191594.db2.gz MIUPSSCFGGTFDM-UHFFFAOYSA-N 1 2 288.395 1.896 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000160881234 362193914 /nfs/dbraw/zinc/19/39/14/362193914.db2.gz ACKCDLPCHZDTGX-QWHCGFSZSA-N 1 2 293.415 1.332 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000160881234 362193922 /nfs/dbraw/zinc/19/39/22/362193922.db2.gz ACKCDLPCHZDTGX-QWHCGFSZSA-N 1 2 293.415 1.332 20 70 CDIDLO CC1(O)CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000161248775 188517703 /nfs/dbraw/zinc/51/77/03/188517703.db2.gz ACRXSVXUQRUTBG-UHFFFAOYSA-N 1 2 273.336 1.250 20 70 CDIDLO CC(C)(C)OC(=O)CSCC[NH+]1CCOCC1 ZINC000159967279 363522244 /nfs/dbraw/zinc/52/22/44/363522244.db2.gz UYPXSFVKUDHABB-UHFFFAOYSA-N 1 2 261.387 1.394 20 70 CDIDLO CCCn1c(C)nnc1SCCn1cc[nH+]c1 ZINC000160338022 364338099 /nfs/dbraw/zinc/33/80/99/364338099.db2.gz LTYKYVLYDAOTKV-UHFFFAOYSA-N 1 2 251.359 1.985 20 70 CDIDLO CS[C@@H]1CCCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000161128330 364451668 /nfs/dbraw/zinc/45/16/68/364451668.db2.gz CXBNIYJXGKVEEJ-GFCCVEGCSA-N 1 2 282.413 1.810 20 70 CDIDLO COCCc1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161485735 373761766 /nfs/dbraw/zinc/76/17/66/373761766.db2.gz HUSUZQCEIGLCCG-UHFFFAOYSA-N 1 2 257.359 1.197 20 70 CDIDLO COCCc1noc(C[N@H+]2CCCSCC2)n1 ZINC000161485735 373761771 /nfs/dbraw/zinc/76/17/71/373761771.db2.gz HUSUZQCEIGLCCG-UHFFFAOYSA-N 1 2 257.359 1.197 20 70 CDIDLO CC(C)n1cc[nH+]c1CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000160700850 391520990 /nfs/dbraw/zinc/52/09/90/391520990.db2.gz GFTTWMZAEFVBIT-NSHDSACASA-N 1 2 271.386 1.083 20 70 CDIDLO C[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000161095066 277097838 /nfs/dbraw/zinc/09/78/38/277097838.db2.gz SDDMVDTXZNYHQW-UHFFFAOYSA-N 1 2 273.258 1.488 20 70 CDIDLO CC(C)[C@@H]1C(=O)NCCN1Cc1c[nH+]c2ccccn12 ZINC000159693713 539114592 /nfs/dbraw/zinc/11/45/92/539114592.db2.gz KCPZZJFJUSHCGY-CQSZACIVSA-N 1 2 272.352 1.291 20 70 CDIDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cnc2ccccn12 ZINC000159693713 539114593 /nfs/dbraw/zinc/11/45/93/539114593.db2.gz KCPZZJFJUSHCGY-CQSZACIVSA-N 1 2 272.352 1.291 20 70 CDIDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cnc2ccccn12 ZINC000159693713 539114594 /nfs/dbraw/zinc/11/45/94/539114594.db2.gz KCPZZJFJUSHCGY-CQSZACIVSA-N 1 2 272.352 1.291 20 70 CDIDLO COc1c(C[NH2+]Cc2ccc(C)cn2)c(C)nn1C ZINC000160155543 539115448 /nfs/dbraw/zinc/11/54/48/539115448.db2.gz PGICRDMUMCTMIY-UHFFFAOYSA-N 1 2 260.341 1.730 20 70 CDIDLO CC[N@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cnn(C)c1 ZINC000161092153 362585427 /nfs/dbraw/zinc/58/54/27/362585427.db2.gz MEHDFSLQYZYDAW-KBPBESRZSA-N 1 2 292.427 1.747 20 70 CDIDLO CC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1cnn(C)c1 ZINC000161092153 362585432 /nfs/dbraw/zinc/58/54/32/362585432.db2.gz MEHDFSLQYZYDAW-KBPBESRZSA-N 1 2 292.427 1.747 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160806712 346609139 /nfs/dbraw/zinc/60/91/39/346609139.db2.gz ZPLCOKNIFKYRLX-KBPBESRZSA-N 1 2 281.327 1.743 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160806712 346609142 /nfs/dbraw/zinc/60/91/42/346609142.db2.gz ZPLCOKNIFKYRLX-KBPBESRZSA-N 1 2 281.327 1.743 20 70 CDIDLO C[C@@H]1C[C@@H]1c1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n[nH]1 ZINC000161035277 360309599 /nfs/dbraw/zinc/30/95/99/360309599.db2.gz UBAIOCHBTBUXOK-MXWKQRLJSA-N 1 2 285.351 1.931 20 70 CDIDLO C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H]3C(N)=O)sc2C1 ZINC000160337084 363823807 /nfs/dbraw/zinc/82/38/07/363823807.db2.gz SAUKFDWRIYFLQM-MWLCHTKSSA-N 1 2 279.409 1.718 20 70 CDIDLO C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H]3C(N)=O)sc2C1 ZINC000160337084 363823808 /nfs/dbraw/zinc/82/38/08/363823808.db2.gz SAUKFDWRIYFLQM-MWLCHTKSSA-N 1 2 279.409 1.718 20 70 CDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000159826066 364270547 /nfs/dbraw/zinc/27/05/47/364270547.db2.gz ZYMXGCPRTIHLFL-AWEZNQCLSA-N 1 2 290.363 1.167 20 70 CDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000159826066 364270554 /nfs/dbraw/zinc/27/05/54/364270554.db2.gz ZYMXGCPRTIHLFL-AWEZNQCLSA-N 1 2 290.363 1.167 20 70 CDIDLO Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000159839307 364272181 /nfs/dbraw/zinc/27/21/81/364272181.db2.gz UFVMUTSFQDFKPG-NSHDSACASA-N 1 2 287.323 1.778 20 70 CDIDLO COC(C[N@@H+]1CCc2c(F)ccc(F)c2C1)OC ZINC000161492079 364501899 /nfs/dbraw/zinc/50/18/99/364501899.db2.gz KUWCZQSLZVZZBY-UHFFFAOYSA-N 1 2 257.280 1.942 20 70 CDIDLO COC(C[N@H+]1CCc2c(F)ccc(F)c2C1)OC ZINC000161492079 364501901 /nfs/dbraw/zinc/50/19/01/364501901.db2.gz KUWCZQSLZVZZBY-UHFFFAOYSA-N 1 2 257.280 1.942 20 70 CDIDLO O=C(NCCOC1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160136395 376985118 /nfs/dbraw/zinc/98/51/18/376985118.db2.gz TVDYUQBFRFTWLO-LBPRGKRZSA-N 1 2 277.368 1.521 20 70 CDIDLO CCC[N@H+](Cc1cn(C)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161074588 377130172 /nfs/dbraw/zinc/13/01/72/377130172.db2.gz LPSMAAKEYAVBRQ-ZDUSSCGKSA-N 1 2 285.413 1.128 20 70 CDIDLO Cc1ncsc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161425311 377621442 /nfs/dbraw/zinc/62/14/42/377621442.db2.gz SOFDALCVKINBAF-JTQLQIEISA-N 1 2 276.365 1.527 20 70 CDIDLO Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)ncn1 ZINC000161464654 377663899 /nfs/dbraw/zinc/66/38/99/377663899.db2.gz IMWKUKBFQHJDQV-UHFFFAOYSA-N 1 2 297.362 1.710 20 70 CDIDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccnc1 ZINC000217319525 140163931 /nfs/dbraw/zinc/16/39/31/140163931.db2.gz HRZILKUDCKQJIW-LLVKDONJSA-N 1 2 257.341 1.860 20 70 CDIDLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1c[nH+]c2ccccn12 ZINC000160401642 526021054 /nfs/dbraw/zinc/02/10/54/526021054.db2.gz CBYISNZOVLDQBV-VXGBXAGGSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cnc2ccccn12 ZINC000160401642 526021057 /nfs/dbraw/zinc/02/10/57/526021057.db2.gz CBYISNZOVLDQBV-VXGBXAGGSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cnc2ccccn12 ZINC000160401642 526021067 /nfs/dbraw/zinc/02/10/67/526021067.db2.gz CBYISNZOVLDQBV-VXGBXAGGSA-N 1 2 295.408 1.588 20 70 CDIDLO COc1ccnc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000161420201 539117699 /nfs/dbraw/zinc/11/76/99/539117699.db2.gz SZHMONSXFRUXNM-SNVBAGLBSA-N 1 2 281.381 1.466 20 70 CDIDLO O=C(Cc1csc(-c2ccoc2)n1)NCc1[nH]cc[nH+]1 ZINC000159862925 345278232 /nfs/dbraw/zinc/27/82/32/345278232.db2.gz BUVOVCSUZYZVAZ-UHFFFAOYSA-N 1 2 288.332 1.985 20 70 CDIDLO CSCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159945876 345312658 /nfs/dbraw/zinc/31/26/58/345312658.db2.gz DCEZRMKVAXRUNY-UHFFFAOYSA-N 1 2 294.424 1.272 20 70 CDIDLO CCCN(CCC)C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161094957 362587151 /nfs/dbraw/zinc/58/71/51/362587151.db2.gz FBITXUROWVIZPM-UHFFFAOYSA-N 1 2 280.416 1.891 20 70 CDIDLO CCCN(CCC)C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161094957 362587152 /nfs/dbraw/zinc/58/71/52/362587152.db2.gz FBITXUROWVIZPM-UHFFFAOYSA-N 1 2 280.416 1.891 20 70 CDIDLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C)(O)CC2)cc1 ZINC000161212444 362688000 /nfs/dbraw/zinc/68/80/00/362688000.db2.gz YETGJJLWNXAESG-UHFFFAOYSA-N 1 2 290.363 1.675 20 70 CDIDLO C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1c[nH+]c2ccccn12 ZINC000160509029 237175794 /nfs/dbraw/zinc/17/57/94/237175794.db2.gz MFSXYIQHGUNADA-RYUDHWBXSA-N 1 2 293.392 1.342 20 70 CDIDLO CC[C@@H](NC[C@@H](CC(C)C)[NH+]1CCOCC1)C(=O)OC ZINC000159483369 361711687 /nfs/dbraw/zinc/71/16/87/361711687.db2.gz DJSXBLXRKAGBPH-ZIAGYGMSSA-N 1 2 286.416 1.275 20 70 CDIDLO CC[C@@H]([NH2+]C[C@@H](CC(C)C)N1CCOCC1)C(=O)OC ZINC000159483369 361711693 /nfs/dbraw/zinc/71/16/93/361711693.db2.gz DJSXBLXRKAGBPH-ZIAGYGMSSA-N 1 2 286.416 1.275 20 70 CDIDLO CCc1ncsc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000160605037 364380571 /nfs/dbraw/zinc/38/05/71/364380571.db2.gz KSIDPAVHTKSUEB-SNVBAGLBSA-N 1 2 278.381 1.968 20 70 CDIDLO COCC(C)(C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160936968 364430433 /nfs/dbraw/zinc/43/04/33/364430433.db2.gz PZQBBCFCQPEADS-UHFFFAOYSA-N 1 2 291.395 1.398 20 70 CDIDLO COC(=O)CCN(Cc1ccncc1)c1cc[nH+]c(C)n1 ZINC000161352902 364480829 /nfs/dbraw/zinc/48/08/29/364480829.db2.gz WRRNBAWZWXSRSO-UHFFFAOYSA-N 1 2 286.335 1.750 20 70 CDIDLO O=C(Cc1ccc(O)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161419584 364491142 /nfs/dbraw/zinc/49/11/42/364491142.db2.gz AWHLWVUUTKPNPF-CQSZACIVSA-N 1 2 297.358 1.725 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161015251 390586195 /nfs/dbraw/zinc/58/61/95/390586195.db2.gz DBFBBGJRVVMBFB-GFCCVEGCSA-N 1 2 277.430 1.699 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161015251 390586202 /nfs/dbraw/zinc/58/62/02/390586202.db2.gz DBFBBGJRVVMBFB-GFCCVEGCSA-N 1 2 277.430 1.699 20 70 CDIDLO COc1c(C)c[nH+]c(CN2CC[C@@H](O)[C@H](C)C2)c1C ZINC000159438899 362322777 /nfs/dbraw/zinc/32/27/77/362322777.db2.gz PDOOAURFTHBEAL-BXUZGUMPSA-N 1 2 264.369 1.910 20 70 CDIDLO Cn1cnnc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000160733171 360854568 /nfs/dbraw/zinc/85/45/68/360854568.db2.gz AOKIJUDWPSUHSA-UHFFFAOYSA-N 1 2 299.378 1.210 20 70 CDIDLO Cc1cc2cc(C[N@@H+]3CCNC(=O)C3)oc2cc1C ZINC000160503609 363960150 /nfs/dbraw/zinc/96/01/50/363960150.db2.gz GDWYLNJGRUKJFZ-UHFFFAOYSA-N 1 2 258.321 1.981 20 70 CDIDLO Cc1cc2cc(C[N@H+]3CCNC(=O)C3)oc2cc1C ZINC000160503609 363960156 /nfs/dbraw/zinc/96/01/56/363960156.db2.gz GDWYLNJGRUKJFZ-UHFFFAOYSA-N 1 2 258.321 1.981 20 70 CDIDLO COC(C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1)OC ZINC000160414450 364349635 /nfs/dbraw/zinc/34/96/35/364349635.db2.gz VTRNDAPWUKTKQZ-UHFFFAOYSA-N 1 2 296.342 1.202 20 70 CDIDLO COCCC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000161149993 364454747 /nfs/dbraw/zinc/45/47/47/364454747.db2.gz AZCBWPCIYMXCJG-UHFFFAOYSA-N 1 2 277.368 1.863 20 70 CDIDLO CN(C)C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159674725 390976020 /nfs/dbraw/zinc/97/60/20/390976020.db2.gz UTRXENSGSKQHBI-MRXNPFEDSA-N 1 2 274.364 1.249 20 70 CDIDLO CN(C)C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159674725 390976021 /nfs/dbraw/zinc/97/60/21/390976021.db2.gz UTRXENSGSKQHBI-MRXNPFEDSA-N 1 2 274.364 1.249 20 70 CDIDLO O=C(Nc1nnc2ccccn21)[C@H]1CCn2cc[nH+]c2C1 ZINC000159687636 280068599 /nfs/dbraw/zinc/06/85/99/280068599.db2.gz HEQUZAZWWYGQDC-JTQLQIEISA-N 1 2 282.307 1.127 20 70 CDIDLO CSCCCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159910900 361925961 /nfs/dbraw/zinc/92/59/61/361925961.db2.gz KYBZLZAWRCWCNR-LBPRGKRZSA-N 1 2 274.430 1.357 20 70 CDIDLO CCc1nnc(C[NH+]2CCC(CC)(CO)CC2)[nH]1 ZINC000160179151 362047350 /nfs/dbraw/zinc/04/73/50/362047350.db2.gz SKDZQPJEWIUNHN-UHFFFAOYSA-N 1 2 252.362 1.352 20 70 CDIDLO CC(C)(C)c1nsc(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000160047921 362389346 /nfs/dbraw/zinc/38/93/46/362389346.db2.gz BMDBITWLIPLVKZ-JTQLQIEISA-N 1 2 281.429 1.247 20 70 CDIDLO CC(C)(CCO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000161492904 363082024 /nfs/dbraw/zinc/08/20/24/363082024.db2.gz SAKFTFLGSYNHNQ-UHFFFAOYSA-N 1 2 261.325 1.154 20 70 CDIDLO CCc1nc(C[NH2+]CC(CC)(CC)C(=O)OC)no1 ZINC000159672303 363181163 /nfs/dbraw/zinc/18/11/63/363181163.db2.gz NMRGKBBPCNWZQB-UHFFFAOYSA-N 1 2 269.345 1.701 20 70 CDIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ncnn2C)n1 ZINC000160365329 358583009 /nfs/dbraw/zinc/58/30/09/358583009.db2.gz VAJQDKYCXXQIAP-CYBMUJFWSA-N 1 2 257.341 1.856 20 70 CDIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ncnn2C)n1 ZINC000160365329 358583014 /nfs/dbraw/zinc/58/30/14/358583014.db2.gz VAJQDKYCXXQIAP-CYBMUJFWSA-N 1 2 257.341 1.856 20 70 CDIDLO COc1cccc(CS(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161166489 358789359 /nfs/dbraw/zinc/78/93/59/358789359.db2.gz PZKDVPOYHZOEAP-UHFFFAOYSA-N 1 2 280.349 1.544 20 70 CDIDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(Cl)c1OC ZINC000160370881 363841028 /nfs/dbraw/zinc/84/10/28/363841028.db2.gz YWLAYCLNFAHYBQ-SNVBAGLBSA-N 1 2 298.770 1.807 20 70 CDIDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c(Cl)c1OC ZINC000160370881 363841033 /nfs/dbraw/zinc/84/10/33/363841033.db2.gz YWLAYCLNFAHYBQ-SNVBAGLBSA-N 1 2 298.770 1.807 20 70 CDIDLO CC(C)c1nc(N(C)CCOCC2CC2)nc(N(C)C)[nH+]1 ZINC000160453746 363874179 /nfs/dbraw/zinc/87/41/79/363874179.db2.gz CKSRKWKIZRHFKE-UHFFFAOYSA-N 1 2 293.415 1.924 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N(C)CCOCC2CC2)[nH+]1 ZINC000160453746 363874182 /nfs/dbraw/zinc/87/41/82/363874182.db2.gz CKSRKWKIZRHFKE-UHFFFAOYSA-N 1 2 293.415 1.924 20 70 CDIDLO CCOCC[NH+]1CCN(c2ncnc(CC)c2F)CC1 ZINC000159405324 364199970 /nfs/dbraw/zinc/19/99/70/364199970.db2.gz DQVQZQLYKQBISN-UHFFFAOYSA-N 1 2 282.363 1.337 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@@H]2CCCCO2)n1 ZINC000160978693 364434687 /nfs/dbraw/zinc/43/46/87/364434687.db2.gz MJUXZMUMHVIVHW-LBPRGKRZSA-N 1 2 265.357 1.746 20 70 CDIDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCOC[C@H]1C1CC1 ZINC000161317251 292803823 /nfs/dbraw/zinc/80/38/23/292803823.db2.gz VTQHFWNNYZLUFL-JSGCOSHPSA-N 1 2 275.352 1.083 20 70 CDIDLO CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159884599 361891226 /nfs/dbraw/zinc/89/12/26/361891226.db2.gz UCLITOQLBBLHIK-CYBMUJFWSA-N 1 2 285.347 1.810 20 70 CDIDLO O=C([C@H]1CCCCO1)N1CC[NH+](Cc2cccs2)CC1 ZINC000161045048 539117117 /nfs/dbraw/zinc/11/71/17/539117117.db2.gz XCTLWPXIXWGWHK-CQSZACIVSA-N 1 2 294.420 1.961 20 70 CDIDLO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)C(=O)OC ZINC000159474185 362324950 /nfs/dbraw/zinc/32/49/50/362324950.db2.gz NBMMYVSWGCSLCR-GFCCVEGCSA-N 1 2 281.352 1.788 20 70 CDIDLO C[C@@H](CNC(=O)CCCn1cccc1)[NH+]1CCN(C)CC1 ZINC000159523484 364227236 /nfs/dbraw/zinc/22/72/36/364227236.db2.gz PMOQCWHFHWQCKX-HNNXBMFYSA-N 1 2 292.427 1.020 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@H+](C)C[C@H]1CCCOC1 ZINC000160094303 364305857 /nfs/dbraw/zinc/30/58/57/364305857.db2.gz CVVFVGGGFDRALV-OCCSQVGLSA-N 1 2 278.352 1.654 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000160094303 364305861 /nfs/dbraw/zinc/30/58/61/364305861.db2.gz CVVFVGGGFDRALV-OCCSQVGLSA-N 1 2 278.352 1.654 20 70 CDIDLO CCCC[N@H+](Cc1cncs1)[C@H]1CCS(=O)(=O)C1 ZINC000160760172 364406565 /nfs/dbraw/zinc/40/65/65/364406565.db2.gz OTGKVZGECAKMTP-NSHDSACASA-N 1 2 288.438 1.932 20 70 CDIDLO CCCC[N@@H+](Cc1cncs1)[C@H]1CCS(=O)(=O)C1 ZINC000160760172 364406570 /nfs/dbraw/zinc/40/65/70/364406570.db2.gz OTGKVZGECAKMTP-NSHDSACASA-N 1 2 288.438 1.932 20 70 CDIDLO CCN(Cc1c[nH+]c2ccccn12)[C@H](C)CS(C)(=O)=O ZINC000160385539 285125746 /nfs/dbraw/zinc/12/57/46/285125746.db2.gz VAYOXZQLTXODCK-GFCCVEGCSA-N 1 2 295.408 1.589 20 70 CDIDLO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)C[C@H]2C)CC1 ZINC000159794604 292769329 /nfs/dbraw/zinc/76/93/29/292769329.db2.gz FALRNSHSPUWOJC-TZMCWYRMSA-N 1 2 266.385 1.544 20 70 CDIDLO COC(=O)CN(Cc1[nH+]ccn1C(C)C)C(C)C ZINC000160844211 523168327 /nfs/dbraw/zinc/16/83/27/523168327.db2.gz LUHNZULJSVCHTI-UHFFFAOYSA-N 1 2 253.346 1.847 20 70 CDIDLO C[C@@H](CS(C)(=O)=O)N(C)Cc1c[nH+]c2ccccn12 ZINC000160369340 524833774 /nfs/dbraw/zinc/83/37/74/524833774.db2.gz XNOFJKJFCDWVCR-NSHDSACASA-N 1 2 281.381 1.199 20 70 CDIDLO CN(C)c1[nH+]cccc1NC(=O)c1cnc2c(c1)nnn2C ZINC000159555561 362305591 /nfs/dbraw/zinc/30/55/91/362305591.db2.gz FMJMIYWZVXFKHK-UHFFFAOYSA-N 1 2 297.322 1.077 20 70 CDIDLO Cc1cccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1F ZINC000161465604 363037458 /nfs/dbraw/zinc/03/74/58/363037458.db2.gz JRFSQADBYLTEET-LBPRGKRZSA-N 1 2 280.343 1.585 20 70 CDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3(C)CCCC3)C[C@@H]21 ZINC000159871520 363388287 /nfs/dbraw/zinc/38/82/87/363388287.db2.gz TVBLAULFHIAMGO-STQMWFEESA-N 1 2 281.400 1.291 20 70 CDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)NCC3(C)CCCC3)C[C@@H]21 ZINC000159871520 363388292 /nfs/dbraw/zinc/38/82/92/363388292.db2.gz TVBLAULFHIAMGO-STQMWFEESA-N 1 2 281.400 1.291 20 70 CDIDLO Cn1cc[nH+]c1CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000160761152 361215075 /nfs/dbraw/zinc/21/50/75/361215075.db2.gz AEZZOCLTYDASPC-CYBMUJFWSA-N 1 2 288.351 1.294 20 70 CDIDLO COC(=O)[C@](C)(NCc1c[nH+]c2ccccn12)C1CC1 ZINC000160606359 364087924 /nfs/dbraw/zinc/08/79/24/364087924.db2.gz WOFOBUJNTVVYTF-OAHLLOKOSA-N 1 2 273.336 1.766 20 70 CDIDLO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1nc(C(C)(C)C)no1 ZINC000161274779 377200081 /nfs/dbraw/zinc/20/00/81/377200081.db2.gz KJUHWBIHSIKDDX-BDAKNGLRSA-N 1 2 266.345 1.248 20 70 CDIDLO Cn1c(=O)cccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000159974518 292774984 /nfs/dbraw/zinc/77/49/84/292774984.db2.gz MRXBZZICEOHGQJ-UHFFFAOYSA-N 1 2 294.314 1.823 20 70 CDIDLO O=C(NCCCn1cc[nH+]c1)NCCc1cccc(O)c1 ZINC000160989698 347009390 /nfs/dbraw/zinc/00/93/90/347009390.db2.gz RBLWFMSMOOKUHO-UHFFFAOYSA-N 1 2 288.351 1.521 20 70 CDIDLO CCc1nnc(CSCC[NH+]2CCOCC2)o1 ZINC000160016813 376997832 /nfs/dbraw/zinc/99/78/32/376997832.db2.gz LBAJAYINSBUWGI-UHFFFAOYSA-N 1 2 257.359 1.197 20 70 CDIDLO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161302178 377184976 /nfs/dbraw/zinc/18/49/76/377184976.db2.gz NLUIQLAWUUYPQS-KGLIPLIRSA-N 1 2 291.395 1.503 20 70 CDIDLO C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)O1 ZINC000160622024 391126687 /nfs/dbraw/zinc/12/66/87/391126687.db2.gz OVSJVCRDXSMPJB-VXGBXAGGSA-N 1 2 277.368 1.471 20 70 CDIDLO COc1cc(C)c(C[N@H+](C)Cc2nncn2C)cc1OC ZINC000160707071 533570061 /nfs/dbraw/zinc/57/00/61/533570061.db2.gz LJYFDBLDSMOATO-UHFFFAOYSA-N 1 2 290.367 1.773 20 70 CDIDLO COc1cc(C)c(C[N@@H+](C)Cc2nncn2C)cc1OC ZINC000160707071 533570068 /nfs/dbraw/zinc/57/00/68/533570068.db2.gz LJYFDBLDSMOATO-UHFFFAOYSA-N 1 2 290.367 1.773 20 70 CDIDLO COCCN(CC(F)F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161394687 292464666 /nfs/dbraw/zinc/46/46/66/292464666.db2.gz ISZONNMBYDEELB-SNVBAGLBSA-N 1 2 287.310 1.186 20 70 CDIDLO Clc1cnc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000160388060 279296594 /nfs/dbraw/zinc/29/65/94/279296594.db2.gz RMNRHJWKXBIVHX-GFCCVEGCSA-N 1 2 282.775 1.431 20 70 CDIDLO C[C@@H](NC(=O)NC1(C)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000160850672 292795366 /nfs/dbraw/zinc/79/53/66/292795366.db2.gz VNHDIFIMHWMZHA-NEPJUHHUSA-N 1 2 269.389 1.337 20 70 CDIDLO Cc1cccc([C@@H]2CCC[N@H+]2CCS(C)(=O)=O)n1 ZINC000159788725 302026524 /nfs/dbraw/zinc/02/65/24/302026524.db2.gz CHUONDXCCMOAIU-ZDUSSCGKSA-N 1 2 268.382 1.572 20 70 CDIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCS(C)(=O)=O)n1 ZINC000159788725 302026520 /nfs/dbraw/zinc/02/65/20/302026520.db2.gz CHUONDXCCMOAIU-ZDUSSCGKSA-N 1 2 268.382 1.572 20 70 CDIDLO Cc1noc(C)c1C[NH+]1CCN(CCOCC2CC2)CC1 ZINC000159711914 361807465 /nfs/dbraw/zinc/80/74/65/361807465.db2.gz DSCBVBWHTARGLD-UHFFFAOYSA-N 1 2 293.411 1.836 20 70 CDIDLO CC[C@@](C)(CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160386755 539115788 /nfs/dbraw/zinc/11/57/88/539115788.db2.gz TXXDSWSHANHEGC-ZDUSSCGKSA-N 1 2 267.377 1.634 20 70 CDIDLO CC[C@@](C)(CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160386755 539115789 /nfs/dbraw/zinc/11/57/89/539115789.db2.gz TXXDSWSHANHEGC-ZDUSSCGKSA-N 1 2 267.377 1.634 20 70 CDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCCC3)C[C@@H]21 ZINC000159871247 362547501 /nfs/dbraw/zinc/54/75/01/362547501.db2.gz TVBLAULFHIAMGO-QWHCGFSZSA-N 1 2 281.400 1.291 20 70 CDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3(C)CCCC3)C[C@@H]21 ZINC000159871247 362547509 /nfs/dbraw/zinc/54/75/09/362547509.db2.gz TVBLAULFHIAMGO-QWHCGFSZSA-N 1 2 281.400 1.291 20 70 CDIDLO CCC[N@H+](Cc1ccc(CO)o1)[C@H]1CCS(=O)(=O)C1 ZINC000161099071 362588245 /nfs/dbraw/zinc/58/82/45/362588245.db2.gz BXIOYPDPZISXQH-NSHDSACASA-N 1 2 287.381 1.171 20 70 CDIDLO CCC[N@@H+](Cc1ccc(CO)o1)[C@H]1CCS(=O)(=O)C1 ZINC000161099071 362588250 /nfs/dbraw/zinc/58/82/50/362588250.db2.gz BXIOYPDPZISXQH-NSHDSACASA-N 1 2 287.381 1.171 20 70 CDIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1nccs1 ZINC000161112873 362677971 /nfs/dbraw/zinc/67/79/71/362677971.db2.gz XEOHVSNQMJNCRJ-JTQLQIEISA-N 1 2 293.396 1.726 20 70 CDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1nccs1 ZINC000161112873 362677972 /nfs/dbraw/zinc/67/79/72/362677972.db2.gz XEOHVSNQMJNCRJ-JTQLQIEISA-N 1 2 293.396 1.726 20 70 CDIDLO Cn1cc[nH+]c1CSc1nnc(-c2ccccn2)n1C ZINC000159522985 361727798 /nfs/dbraw/zinc/72/77/98/361727798.db2.gz UZGGFSVXYLGUCG-UHFFFAOYSA-N 1 2 286.364 1.903 20 70 CDIDLO Cc1cc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)on1 ZINC000159976811 364288726 /nfs/dbraw/zinc/28/87/26/364288726.db2.gz WKRNMOUQHQGHBJ-LLVKDONJSA-N 1 2 299.396 1.375 20 70 CDIDLO O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CCCCO1 ZINC000160688136 364393978 /nfs/dbraw/zinc/39/39/78/364393978.db2.gz AZYFECABKZVSBH-CYBMUJFWSA-N 1 2 273.336 1.562 20 70 CDIDLO CC(C)n1cc[nH+]c1CN(C)CC(=O)NC1CC1 ZINC000160708110 377095179 /nfs/dbraw/zinc/09/51/79/377095179.db2.gz SJLCTVAGQPHULE-UHFFFAOYSA-N 1 2 250.346 1.174 20 70 CDIDLO Cn1ccnc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000160793354 362175534 /nfs/dbraw/zinc/17/55/34/362175534.db2.gz HEEHTGHMYPBISB-UHFFFAOYSA-N 1 2 290.411 1.645 20 70 CDIDLO CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cnn(C)c1 ZINC000161099477 362588384 /nfs/dbraw/zinc/58/83/84/362588384.db2.gz HITDILKPJBZDNT-CYBMUJFWSA-N 1 2 278.400 1.501 20 70 CDIDLO CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cnn(C)c1 ZINC000161099477 362588385 /nfs/dbraw/zinc/58/83/85/362588385.db2.gz HITDILKPJBZDNT-CYBMUJFWSA-N 1 2 278.400 1.501 20 70 CDIDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000159842873 364273448 /nfs/dbraw/zinc/27/34/48/364273448.db2.gz SRWPOBQOKUNXOO-NOZJJQNGSA-N 1 2 276.315 1.436 20 70 CDIDLO CCCCOc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000160502967 364363389 /nfs/dbraw/zinc/36/33/89/364363389.db2.gz NFHWAFJHKVMUDJ-UHFFFAOYSA-N 1 2 262.353 1.797 20 70 CDIDLO CCCCOc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000160502967 364363395 /nfs/dbraw/zinc/36/33/95/364363395.db2.gz NFHWAFJHKVMUDJ-UHFFFAOYSA-N 1 2 262.353 1.797 20 70 CDIDLO CCOC(=O)c1ccc(N(C)Cc2[nH+]ccn2C)nc1 ZINC000217961189 367259676 /nfs/dbraw/zinc/25/96/76/367259676.db2.gz YBKHJVHJSMULKO-UHFFFAOYSA-N 1 2 274.324 1.628 20 70 CDIDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160836974 377120943 /nfs/dbraw/zinc/12/09/43/377120943.db2.gz HZUGDHSNFYIFEE-ZDUSSCGKSA-N 1 2 299.378 1.193 20 70 CDIDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160836974 377120947 /nfs/dbraw/zinc/12/09/47/377120947.db2.gz HZUGDHSNFYIFEE-ZDUSSCGKSA-N 1 2 299.378 1.193 20 70 CDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000160597562 524629565 /nfs/dbraw/zinc/62/95/65/524629565.db2.gz FEJYKRYIVWGUHA-RDBSUJKOSA-N 1 2 268.401 1.650 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000160881479 362194365 /nfs/dbraw/zinc/19/43/65/362194365.db2.gz ACKCDLPCHZDTGX-STQMWFEESA-N 1 2 293.415 1.332 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000160881479 362194370 /nfs/dbraw/zinc/19/43/70/362194370.db2.gz ACKCDLPCHZDTGX-STQMWFEESA-N 1 2 293.415 1.332 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000160881361 362194392 /nfs/dbraw/zinc/19/43/92/362194392.db2.gz ACKCDLPCHZDTGX-OLZOCXBDSA-N 1 2 293.415 1.332 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000160881361 362194397 /nfs/dbraw/zinc/19/43/97/362194397.db2.gz ACKCDLPCHZDTGX-OLZOCXBDSA-N 1 2 293.415 1.332 20 70 CDIDLO Cn1c(SCCn2cc[nH+]c2)nnc1-c1ccccn1 ZINC000160192919 363735434 /nfs/dbraw/zinc/73/54/34/363735434.db2.gz YYBITPGLQUTMHR-UHFFFAOYSA-N 1 2 286.364 1.866 20 70 CDIDLO Cc1c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cnn1C ZINC000159791341 364265750 /nfs/dbraw/zinc/26/57/50/364265750.db2.gz ZBDQMKNODGOWLZ-YMTOWFKASA-N 1 2 290.342 1.745 20 70 CDIDLO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000159506053 364224014 /nfs/dbraw/zinc/22/40/14/364224014.db2.gz MUVTUJMCGLFVOH-MNOVXSKESA-N 1 2 261.329 1.036 20 70 CDIDLO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000159506053 364224018 /nfs/dbraw/zinc/22/40/18/364224018.db2.gz MUVTUJMCGLFVOH-MNOVXSKESA-N 1 2 261.329 1.036 20 70 CDIDLO CC(C)COC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000159571817 292762322 /nfs/dbraw/zinc/76/23/22/292762322.db2.gz RFKUFISSIZLSGU-UHFFFAOYSA-N 1 2 280.372 1.293 20 70 CDIDLO CCCn1nccc1C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000160083816 482780433 /nfs/dbraw/zinc/78/04/33/482780433.db2.gz NEAUNVGLPKIZQH-NSHDSACASA-N 1 2 274.372 1.682 20 70 CDIDLO COc1cc(OC)nc(NCCCCn2cc[nH+]c2)n1 ZINC000159783007 342072850 /nfs/dbraw/zinc/07/28/50/342072850.db2.gz HDVBJGINOGQYPH-UHFFFAOYSA-N 1 2 277.328 1.583 20 70 CDIDLO CCOC(=O)c1nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159748328 363272475 /nfs/dbraw/zinc/27/24/75/363272475.db2.gz CARDVHVSUXZCOU-PWSUYJOCSA-N 1 2 298.408 1.913 20 70 CDIDLO CCOC(=O)c1nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159748328 363272479 /nfs/dbraw/zinc/27/24/79/363272479.db2.gz CARDVHVSUXZCOU-PWSUYJOCSA-N 1 2 298.408 1.913 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000160364981 363827944 /nfs/dbraw/zinc/82/79/44/363827944.db2.gz GPQNQSWLQASKSN-JTQLQIEISA-N 1 2 256.708 1.929 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000160364981 363827948 /nfs/dbraw/zinc/82/79/48/363827948.db2.gz GPQNQSWLQASKSN-JTQLQIEISA-N 1 2 256.708 1.929 20 70 CDIDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000159842519 364273639 /nfs/dbraw/zinc/27/36/39/364273639.db2.gz SRWPOBQOKUNXOO-ZANVPECISA-N 1 2 276.315 1.436 20 70 CDIDLO CC[NH+](CC)CC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160349850 364338024 /nfs/dbraw/zinc/33/80/24/364338024.db2.gz OSQWFOQFMOIKBV-UHFFFAOYSA-N 1 2 277.328 1.653 20 70 CDIDLO CC[NH+](CC)CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160349850 364338029 /nfs/dbraw/zinc/33/80/29/364338029.db2.gz OSQWFOQFMOIKBV-UHFFFAOYSA-N 1 2 277.328 1.653 20 70 CDIDLO Cc1ccc(-c2nc(NC(=O)C[N@@H+](C)C(C)C)n[nH]2)o1 ZINC000160176020 364314715 /nfs/dbraw/zinc/31/47/15/364314715.db2.gz FMCUJZFBXJXXLJ-UHFFFAOYSA-N 1 2 277.328 1.652 20 70 CDIDLO Cc1ccc(-c2nc(NC(=O)C[N@H+](C)C(C)C)n[nH]2)o1 ZINC000160176020 364314718 /nfs/dbraw/zinc/31/47/18/364314718.db2.gz FMCUJZFBXJXXLJ-UHFFFAOYSA-N 1 2 277.328 1.652 20 70 CDIDLO Cc1ccc(-c2n[nH]c(NC(=O)C[N@@H+](C)C(C)C)n2)o1 ZINC000160176020 364314725 /nfs/dbraw/zinc/31/47/25/364314725.db2.gz FMCUJZFBXJXXLJ-UHFFFAOYSA-N 1 2 277.328 1.652 20 70 CDIDLO Cc1ccc(-c2n[nH]c(NC(=O)C[N@H+](C)C(C)C)n2)o1 ZINC000160176020 364314735 /nfs/dbraw/zinc/31/47/35/364314735.db2.gz FMCUJZFBXJXXLJ-UHFFFAOYSA-N 1 2 277.328 1.652 20 70 CDIDLO Cn1ncc2c1nc[nH+]c2N(CCCO)CC(C)(C)C ZINC000161291911 364474493 /nfs/dbraw/zinc/47/44/93/364474493.db2.gz IYELGKKKEJMYJE-UHFFFAOYSA-N 1 2 277.372 1.598 20 70 CDIDLO Cc1nc(C2([NH2+]Cc3c[nH]nc3C)CCCC2)no1 ZINC000161375329 364485727 /nfs/dbraw/zinc/48/57/27/364485727.db2.gz ZJXOXKWHFYEASW-UHFFFAOYSA-N 1 2 261.329 1.969 20 70 CDIDLO CC(=O)c1cnc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)s1 ZINC000160728458 377094713 /nfs/dbraw/zinc/09/47/13/377094713.db2.gz IJLLLJRULYJURY-SECBINFHSA-N 1 2 299.421 1.722 20 70 CDIDLO CC(=O)c1cnc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)s1 ZINC000160728458 377094723 /nfs/dbraw/zinc/09/47/23/377094723.db2.gz IJLLLJRULYJURY-SECBINFHSA-N 1 2 299.421 1.722 20 70 CDIDLO CCS(=O)(=O)C[C@H](C)N(C)Cc1c[nH+]c2ccccn12 ZINC000160397605 521651105 /nfs/dbraw/zinc/65/11/05/521651105.db2.gz JOMSHDMXZVRRGP-LBPRGKRZSA-N 1 2 295.408 1.589 20 70 CDIDLO C[C@H](CS(C)(=O)=O)N(C)Cc1c[nH+]c2ccccn12 ZINC000160369467 524602605 /nfs/dbraw/zinc/60/26/05/524602605.db2.gz XNOFJKJFCDWVCR-LLVKDONJSA-N 1 2 281.381 1.199 20 70 CDIDLO Cc1cc(F)c(C(=O)NCCn2cc[nH+]c2)cc1F ZINC000159789848 539114718 /nfs/dbraw/zinc/11/47/18/539114718.db2.gz PZZHEWUQINSIIQ-UHFFFAOYSA-N 1 2 265.263 1.900 20 70 CDIDLO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2nnc(CC)[nH]2)C1 ZINC000159463088 345063254 /nfs/dbraw/zinc/06/32/54/345063254.db2.gz LIIZGWHMHXYUTM-GFCCVEGCSA-N 1 2 294.399 1.922 20 70 CDIDLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2nnc(CC)[nH]2)C1 ZINC000159463088 345063255 /nfs/dbraw/zinc/06/32/55/345063255.db2.gz LIIZGWHMHXYUTM-GFCCVEGCSA-N 1 2 294.399 1.922 20 70 CDIDLO Cc1ccc(OCC[N@@H+](C)Cc2nncn2C)cc1 ZINC000160720774 360838082 /nfs/dbraw/zinc/83/80/82/360838082.db2.gz VNCRSUBILDKPRQ-UHFFFAOYSA-N 1 2 260.341 1.634 20 70 CDIDLO Cc1ccc(OCC[N@H+](C)Cc2nncn2C)cc1 ZINC000160720774 360838087 /nfs/dbraw/zinc/83/80/87/360838087.db2.gz VNCRSUBILDKPRQ-UHFFFAOYSA-N 1 2 260.341 1.634 20 70 CDIDLO CN(C(=O)CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000159876669 364275614 /nfs/dbraw/zinc/27/56/14/364275614.db2.gz VKWLWDTZSFCTJQ-UHFFFAOYSA-N 1 2 294.420 1.715 20 70 CDIDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCNC(=O)C2)cc1 ZINC000160484846 364360528 /nfs/dbraw/zinc/36/05/28/364360528.db2.gz YJHJWEWWHHUHDW-UHFFFAOYSA-N 1 2 270.336 1.317 20 70 CDIDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCNC(=O)C2)cc1 ZINC000160484846 364360533 /nfs/dbraw/zinc/36/05/33/364360533.db2.gz YJHJWEWWHHUHDW-UHFFFAOYSA-N 1 2 270.336 1.317 20 70 CDIDLO O=C(Cc1ccc(O)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161419462 364490523 /nfs/dbraw/zinc/49/05/23/364490523.db2.gz AWHLWVUUTKPNPF-AWEZNQCLSA-N 1 2 297.358 1.725 20 70 CDIDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccncc1 ZINC000217319527 140162685 /nfs/dbraw/zinc/16/26/85/140162685.db2.gz VIWHJLSWPXLZBK-LLVKDONJSA-N 1 2 257.341 1.860 20 70 CDIDLO O=C(Nc1ccc2c(c1)C(=O)NC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161004039 342380813 /nfs/dbraw/zinc/38/08/13/342380813.db2.gz PSIDEFAYITVVKY-SNVBAGLBSA-N 1 2 296.330 1.328 20 70 CDIDLO CC1(C)C(=O)NCCN1Cc1c[nH+]c2ccccn12 ZINC000159748159 363273241 /nfs/dbraw/zinc/27/32/41/363273241.db2.gz ZCKLKBRQNSKTDH-UHFFFAOYSA-N 1 2 258.325 1.045 20 70 CDIDLO CCOC(=O)c1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159748188 363272645 /nfs/dbraw/zinc/27/26/45/363272645.db2.gz CARDVHVSUXZCOU-JQWIXIFHSA-N 1 2 298.408 1.913 20 70 CDIDLO CCOC(=O)c1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159748188 363272650 /nfs/dbraw/zinc/27/26/50/363272650.db2.gz CARDVHVSUXZCOU-JQWIXIFHSA-N 1 2 298.408 1.913 20 70 CDIDLO CCOC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000160676415 360720808 /nfs/dbraw/zinc/72/08/08/360720808.db2.gz QPWMHVSJRXKCJS-UHFFFAOYSA-N 1 2 266.345 1.177 20 70 CDIDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1cccnc1 ZINC000159459123 364210894 /nfs/dbraw/zinc/21/08/94/364210894.db2.gz WTSAHZKFTAMIIC-TZMCWYRMSA-N 1 2 277.368 1.197 20 70 CDIDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)Cc1cccnc1 ZINC000159459123 364210901 /nfs/dbraw/zinc/21/09/01/364210901.db2.gz WTSAHZKFTAMIIC-TZMCWYRMSA-N 1 2 277.368 1.197 20 70 CDIDLO CCOC(=O)CC(=O)CSCCn1cc[nH+]c1 ZINC000160163740 364315188 /nfs/dbraw/zinc/31/51/88/364315188.db2.gz ILKYPVFEYIWNDP-UHFFFAOYSA-N 1 2 256.327 1.139 20 70 CDIDLO CCc1ncsc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000160989443 364436627 /nfs/dbraw/zinc/43/66/27/364436627.db2.gz STQDPRQKIMBWPW-GHMZBOCLSA-N 1 2 297.424 1.233 20 70 CDIDLO CCc1ncsc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000160989443 364436634 /nfs/dbraw/zinc/43/66/34/364436634.db2.gz STQDPRQKIMBWPW-GHMZBOCLSA-N 1 2 297.424 1.233 20 70 CDIDLO COCc1nc2n(n1)C[C@@H](Nc1cccc[nH+]1)CC2 ZINC000161367671 364483667 /nfs/dbraw/zinc/48/36/67/364483667.db2.gz XFOMTEKVZNMCEM-JTQLQIEISA-N 1 2 259.313 1.246 20 70 CDIDLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c[nH+]c2ccccn12 ZINC000160401768 526024109 /nfs/dbraw/zinc/02/41/09/526024109.db2.gz CBYISNZOVLDQBV-RYUDHWBXSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cnc2ccccn12 ZINC000160401768 526024113 /nfs/dbraw/zinc/02/41/13/526024113.db2.gz CBYISNZOVLDQBV-RYUDHWBXSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cnc2ccccn12 ZINC000160401768 526024123 /nfs/dbraw/zinc/02/41/23/526024123.db2.gz CBYISNZOVLDQBV-RYUDHWBXSA-N 1 2 295.408 1.588 20 70 CDIDLO Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159859367 361885306 /nfs/dbraw/zinc/88/53/06/361885306.db2.gz QUMFBUVUKMSJOV-GJZGRUSLSA-N 1 2 299.374 1.604 20 70 CDIDLO Cc1noc(C)c1N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160158998 539115459 /nfs/dbraw/zinc/11/54/59/539115459.db2.gz WQELUMOMJRCYEV-VIFPVBQESA-N 1 2 277.328 1.722 20 70 CDIDLO CC[C@]1(C)C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159536051 362231594 /nfs/dbraw/zinc/23/15/94/362231594.db2.gz GTOUUEFXZJBDJZ-SWLSCSKDSA-N 1 2 268.401 1.650 20 70 CDIDLO CN(C(=O)c1cc(F)c(F)c(O)c1F)[C@@H](C[NH3+])C1CC1 ZINC000159850229 362376134 /nfs/dbraw/zinc/37/61/34/362376134.db2.gz RRACHESBMHAKOJ-VIFPVBQESA-N 1 2 288.269 1.619 20 70 CDIDLO C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCS1 ZINC000161409219 290752457 /nfs/dbraw/zinc/75/24/57/290752457.db2.gz CQTABNOBLFCCPU-QWRGUYRKSA-N 1 2 265.382 1.409 20 70 CDIDLO O=C(Nc1nccs1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159807876 364268958 /nfs/dbraw/zinc/26/89/58/364268958.db2.gz VSLAMLQHCIZLNG-SNVBAGLBSA-N 1 2 289.364 1.939 20 70 CDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000160597702 391549837 /nfs/dbraw/zinc/54/98/37/391549837.db2.gz FEJYKRYIVWGUHA-IHRRRGAJSA-N 1 2 268.401 1.650 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000216734832 292175011 /nfs/dbraw/zinc/17/50/11/292175011.db2.gz PGSCMPBQDPZCFZ-CYBMUJFWSA-N 1 2 282.409 1.628 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000216734832 292175012 /nfs/dbraw/zinc/17/50/12/292175012.db2.gz PGSCMPBQDPZCFZ-CYBMUJFWSA-N 1 2 282.409 1.628 20 70 CDIDLO CC(=O)N1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000159549397 292761216 /nfs/dbraw/zinc/76/12/16/292761216.db2.gz JSAQZZHQVJNEBQ-CQSZACIVSA-N 1 2 298.346 1.223 20 70 CDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC000159789007 363306710 /nfs/dbraw/zinc/30/67/10/363306710.db2.gz RULRKNBODOVWLN-LLVKDONJSA-N 1 2 274.430 1.355 20 70 CDIDLO C[C@H](CNC(=O)CCCn1cccc1)[NH+]1CCN(C)CC1 ZINC000159523628 364226437 /nfs/dbraw/zinc/22/64/37/364226437.db2.gz PMOQCWHFHWQCKX-OAHLLOKOSA-N 1 2 292.427 1.020 20 70 CDIDLO CCCn1c(C)nnc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000161436606 521625022 /nfs/dbraw/zinc/62/50/22/521625022.db2.gz FUOGMCSGLWTQLA-STQMWFEESA-N 1 2 296.440 1.703 20 70 CDIDLO CCCn1c(C)nnc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000161436606 521625027 /nfs/dbraw/zinc/62/50/27/521625027.db2.gz FUOGMCSGLWTQLA-STQMWFEESA-N 1 2 296.440 1.703 20 70 CDIDLO CS(=O)(=O)CCCC[N@@H+]1CCc2ccccc2C1 ZINC000161072933 539117194 /nfs/dbraw/zinc/11/71/94/539117194.db2.gz UCOCJXOAGUFRGB-UHFFFAOYSA-N 1 2 267.394 1.870 20 70 CDIDLO CS(=O)(=O)CCCC[N@H+]1CCc2ccccc2C1 ZINC000161072933 539117195 /nfs/dbraw/zinc/11/71/95/539117195.db2.gz UCOCJXOAGUFRGB-UHFFFAOYSA-N 1 2 267.394 1.870 20 70 CDIDLO O=C(NCc1[nH]cc[nH+]1)[C@H]1OCCc2ccccc21 ZINC000159745051 363270230 /nfs/dbraw/zinc/27/02/30/363270230.db2.gz GAFCDYJVWLZTQC-ZDUSSCGKSA-N 1 2 257.293 1.340 20 70 CDIDLO O=C1[C@@H]([N@@H+]2CCC[C@@H](O)C2)CCN1c1ccccc1F ZINC000217161028 358983080 /nfs/dbraw/zinc/98/30/80/358983080.db2.gz KUUOHVURZLDVDN-RISCZKNCSA-N 1 2 278.327 1.388 20 70 CDIDLO O=C1[C@@H]([N@H+]2CCC[C@@H](O)C2)CCN1c1ccccc1F ZINC000217161028 358983083 /nfs/dbraw/zinc/98/30/83/358983083.db2.gz KUUOHVURZLDVDN-RISCZKNCSA-N 1 2 278.327 1.388 20 70 CDIDLO CN(CC[N@H+](C)CN1CCCC1=O)C(=O)OC(C)(C)C ZINC000160563741 364019267 /nfs/dbraw/zinc/01/92/67/364019267.db2.gz XHRISBXMXTYBOG-UHFFFAOYSA-N 1 2 285.388 1.365 20 70 CDIDLO CN(CC[N@@H+](C)CN1CCCC1=O)C(=O)OC(C)(C)C ZINC000160563741 364019269 /nfs/dbraw/zinc/01/92/69/364019269.db2.gz XHRISBXMXTYBOG-UHFFFAOYSA-N 1 2 285.388 1.365 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159624978 364243142 /nfs/dbraw/zinc/24/31/42/364243142.db2.gz JOUSXZKQLNCEAV-RDBSUJKOSA-N 1 2 278.352 1.389 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159624978 364243147 /nfs/dbraw/zinc/24/31/47/364243147.db2.gz JOUSXZKQLNCEAV-RDBSUJKOSA-N 1 2 278.352 1.389 20 70 CDIDLO Nn1c(SCCn2cc[nH+]c2)nnc1[C@H]1CCCCO1 ZINC000160159215 364312436 /nfs/dbraw/zinc/31/24/36/364312436.db2.gz KFHZCYHOCSDIBC-SNVBAGLBSA-N 1 2 294.384 1.222 20 70 CDIDLO Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000161436719 364492145 /nfs/dbraw/zinc/49/21/45/364492145.db2.gz BDKVCUVBDLWXJU-GFCCVEGCSA-N 1 2 286.335 1.695 20 70 CDIDLO O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1CSC[NH2+]1 ZINC000161190476 364460504 /nfs/dbraw/zinc/46/05/04/364460504.db2.gz AUPHIIGBPIWWGN-SSDOTTSWSA-N 1 2 280.275 1.046 20 70 CDIDLO Cc1nn(C)c(Cl)c1/C=C\C(=O)NCc1[nH]cc[nH+]1 ZINC000217000041 280088419 /nfs/dbraw/zinc/08/84/19/280088419.db2.gz WIFKHGVHPZDMCT-ARJAWSKDSA-N 1 2 279.731 1.435 20 70 CDIDLO CC[N@H+](Cc1cnn(C)c1)Cc1cn2cccnc2n1 ZINC000161110776 521439618 /nfs/dbraw/zinc/43/96/18/521439618.db2.gz NUDLZWJPPMWRLV-UHFFFAOYSA-N 1 2 270.340 1.485 20 70 CDIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cn2cccnc2n1 ZINC000161110776 521439630 /nfs/dbraw/zinc/43/96/30/521439630.db2.gz NUDLZWJPPMWRLV-UHFFFAOYSA-N 1 2 270.340 1.485 20 70 CDIDLO Cn1cnnc1C[N@H+](C)CCCOc1ccccc1 ZINC000160780598 362168391 /nfs/dbraw/zinc/16/83/91/362168391.db2.gz KJXIYUKXMWDVBY-UHFFFAOYSA-N 1 2 260.341 1.716 20 70 CDIDLO Cn1cnnc1C[N@@H+](C)CCCOc1ccccc1 ZINC000160780598 362168393 /nfs/dbraw/zinc/16/83/93/362168393.db2.gz KJXIYUKXMWDVBY-UHFFFAOYSA-N 1 2 260.341 1.716 20 70 CDIDLO COCC[N@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000160439611 364353921 /nfs/dbraw/zinc/35/39/21/364353921.db2.gz GPIHHNKABRLEDR-UHFFFAOYSA-N 1 2 260.341 1.464 20 70 CDIDLO COCC[N@@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000160439611 364353927 /nfs/dbraw/zinc/35/39/27/364353927.db2.gz GPIHHNKABRLEDR-UHFFFAOYSA-N 1 2 260.341 1.464 20 70 CDIDLO COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1Cl ZINC000160724357 364401732 /nfs/dbraw/zinc/40/17/32/364401732.db2.gz YWDUCHSZKDYDEE-NSHDSACASA-N 1 2 295.770 1.558 20 70 CDIDLO COc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1Cl ZINC000160724357 364401736 /nfs/dbraw/zinc/40/17/36/364401736.db2.gz YWDUCHSZKDYDEE-NSHDSACASA-N 1 2 295.770 1.558 20 70 CDIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000161176335 364459830 /nfs/dbraw/zinc/45/98/30/364459830.db2.gz YCVXRALJZGURIK-OLZOCXBDSA-N 1 2 294.420 1.297 20 70 CDIDLO CCCn1nc(C)c(C(=O)NCCCn2cc[nH+]c2)c1C ZINC000161184991 364460803 /nfs/dbraw/zinc/46/08/03/364460803.db2.gz ODCZFAQHYCODLN-UHFFFAOYSA-N 1 2 289.383 1.927 20 70 CDIDLO CC1CCN(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000160560268 391838142 /nfs/dbraw/zinc/83/81/42/391838142.db2.gz LCFZOOMFDFSRMR-CQSZACIVSA-N 1 2 281.400 1.245 20 70 CDIDLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1c[nH+]c2ccccn12 ZINC000160401908 526028957 /nfs/dbraw/zinc/02/89/57/526028957.db2.gz CBYISNZOVLDQBV-NEPJUHHUSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cnc2ccccn12 ZINC000160401908 526028963 /nfs/dbraw/zinc/02/89/63/526028963.db2.gz CBYISNZOVLDQBV-NEPJUHHUSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cnc2ccccn12 ZINC000160401908 526028967 /nfs/dbraw/zinc/02/89/67/526028967.db2.gz CBYISNZOVLDQBV-NEPJUHHUSA-N 1 2 295.408 1.588 20 70 CDIDLO COc1c(C)c[nH+]c(CN2CCC(OCCO)CC2)c1C ZINC000160437854 362424541 /nfs/dbraw/zinc/42/45/41/362424541.db2.gz ISGCBNHJQFUVIA-UHFFFAOYSA-N 1 2 294.395 1.680 20 70 CDIDLO C[C@H]1C[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CCS1 ZINC000159843569 363372173 /nfs/dbraw/zinc/37/21/73/363372173.db2.gz YUSLENVIBUONDD-VHSXEESVSA-N 1 2 296.358 1.977 20 70 CDIDLO C[C@H]1C[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CCS1 ZINC000159843569 363372175 /nfs/dbraw/zinc/37/21/75/363372175.db2.gz YUSLENVIBUONDD-VHSXEESVSA-N 1 2 296.358 1.977 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)O ZINC000159454426 364209230 /nfs/dbraw/zinc/20/92/30/364209230.db2.gz KEUPRWYXIFPSKN-SKDRFNHKSA-N 1 2 255.289 1.352 20 70 CDIDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)O ZINC000159454426 364209233 /nfs/dbraw/zinc/20/92/33/364209233.db2.gz KEUPRWYXIFPSKN-SKDRFNHKSA-N 1 2 255.289 1.352 20 70 CDIDLO Cc1noc([C@H]2COCCN2Cc2c[nH+]c3ccccn23)n1 ZINC000161123458 367222912 /nfs/dbraw/zinc/22/29/12/367222912.db2.gz CLMPQPPHOGGBFN-CYBMUJFWSA-N 1 2 299.334 1.599 20 70 CDIDLO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000160355165 391507764 /nfs/dbraw/zinc/50/77/64/391507764.db2.gz HCJUOZGWAWRPJJ-SNVBAGLBSA-N 1 2 267.398 1.890 20 70 CDIDLO CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000160355165 391507766 /nfs/dbraw/zinc/50/77/66/391507766.db2.gz HCJUOZGWAWRPJJ-SNVBAGLBSA-N 1 2 267.398 1.890 20 70 CDIDLO CCOCCN(CC)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161490849 519907087 /nfs/dbraw/zinc/90/70/87/519907087.db2.gz OZROAIBYDPONLZ-GFCCVEGCSA-N 1 2 265.357 1.331 20 70 CDIDLO O=C(NCc1nc2ccccc2[nH]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161363336 526822507 /nfs/dbraw/zinc/82/25/07/526822507.db2.gz YMRWLAWVFPRXBI-NSHDSACASA-N 1 2 295.346 1.638 20 70 CDIDLO CCOC(=O)C[N@H+](C)C[C@H](O)COc1ccccc1C ZINC000159517477 362007282 /nfs/dbraw/zinc/00/72/82/362007282.db2.gz XQIVSCVWNCQUTE-ZDUSSCGKSA-N 1 2 281.352 1.230 20 70 CDIDLO CCOC(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1C ZINC000159517477 362007285 /nfs/dbraw/zinc/00/72/85/362007285.db2.gz XQIVSCVWNCQUTE-ZDUSSCGKSA-N 1 2 281.352 1.230 20 70 CDIDLO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(O)CC2)c1 ZINC000161193399 188513854 /nfs/dbraw/zinc/51/38/54/188513854.db2.gz QUQQLGMHWBNXRG-UHFFFAOYSA-N 1 2 290.363 1.675 20 70 CDIDLO CO[C@@H](C)c1noc(CSCC[NH+]2CCOCC2)n1 ZINC000160001425 363564251 /nfs/dbraw/zinc/56/42/51/363564251.db2.gz PGCKSLBXRVFCBE-JTQLQIEISA-N 1 2 287.385 1.342 20 70 CDIDLO Cc1[nH+]c2ccccn2c1CN(C)[C@H](C)CS(C)(=O)=O ZINC000160369734 358596851 /nfs/dbraw/zinc/59/68/51/358596851.db2.gz JOFISBXLZGCDRH-LLVKDONJSA-N 1 2 295.408 1.508 20 70 CDIDLO C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)O1 ZINC000160622373 358750433 /nfs/dbraw/zinc/75/04/33/358750433.db2.gz OVSJVCRDXSMPJB-RYUDHWBXSA-N 1 2 277.368 1.471 20 70 CDIDLO CC[C@@H](NC[C@H](CC(C)C)[NH+]1CCOCC1)C(=O)OC ZINC000159483600 361712402 /nfs/dbraw/zinc/71/24/02/361712402.db2.gz DJSXBLXRKAGBPH-UONOGXRCSA-N 1 2 286.416 1.275 20 70 CDIDLO CC[C@@H]([NH2+]C[C@H](CC(C)C)N1CCOCC1)C(=O)OC ZINC000159483600 361712406 /nfs/dbraw/zinc/71/24/06/361712406.db2.gz DJSXBLXRKAGBPH-UONOGXRCSA-N 1 2 286.416 1.275 20 70 CDIDLO CC[N@H+](Cc1cccnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160580319 364042660 /nfs/dbraw/zinc/04/26/60/364042660.db2.gz XFKFNKIWZLTFFP-CYBMUJFWSA-N 1 2 268.382 1.399 20 70 CDIDLO CC[N@@H+](Cc1cccnc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160580319 364042665 /nfs/dbraw/zinc/04/26/65/364042665.db2.gz XFKFNKIWZLTFFP-CYBMUJFWSA-N 1 2 268.382 1.399 20 70 CDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(N(C)C(C)=O)CC2)n1 ZINC000161015137 364438509 /nfs/dbraw/zinc/43/85/09/364438509.db2.gz LQGAMYBDWGVYRT-UHFFFAOYSA-N 1 2 292.383 1.187 20 70 CDIDLO COC(C[N@@H+]1CCOC[C@H]1c1ccc(C)o1)OC ZINC000161149838 364454485 /nfs/dbraw/zinc/45/44/85/364454485.db2.gz AFOFFXDKUOBQJB-NSHDSACASA-N 1 2 255.314 1.580 20 70 CDIDLO COC(C[N@H+]1CCOC[C@H]1c1ccc(C)o1)OC ZINC000161149838 364454487 /nfs/dbraw/zinc/45/44/87/364454487.db2.gz AFOFFXDKUOBQJB-NSHDSACASA-N 1 2 255.314 1.580 20 70 CDIDLO CC(=O)c1cnc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)s1 ZINC000160728597 377095677 /nfs/dbraw/zinc/09/56/77/377095677.db2.gz IJLLLJRULYJURY-VIFPVBQESA-N 1 2 299.421 1.722 20 70 CDIDLO CC(=O)c1cnc(NC(=O)C[N@H+](C)[C@H]2CCSC2)s1 ZINC000160728597 377095683 /nfs/dbraw/zinc/09/56/83/377095683.db2.gz IJLLLJRULYJURY-VIFPVBQESA-N 1 2 299.421 1.722 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161015332 390587970 /nfs/dbraw/zinc/58/79/70/390587970.db2.gz DBFBBGJRVVMBFB-LBPRGKRZSA-N 1 2 277.430 1.699 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161015332 390587973 /nfs/dbraw/zinc/58/79/73/390587973.db2.gz DBFBBGJRVVMBFB-LBPRGKRZSA-N 1 2 277.430 1.699 20 70 CDIDLO COC(=O)[C@@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000159938962 292774320 /nfs/dbraw/zinc/77/43/20/292774320.db2.gz HOLLDTNBYNJUKM-AWEZNQCLSA-N 1 2 295.404 1.966 20 70 CDIDLO O=C(CCN1C(=O)CCc2ccccc21)NCc1[nH]cc[nH+]1 ZINC000159861985 292772117 /nfs/dbraw/zinc/77/21/17/292772117.db2.gz ZIXURGIJNMPEED-UHFFFAOYSA-N 1 2 298.346 1.395 20 70 CDIDLO CCc1noc([C@@H](C)SCC[NH+]2CCOCC2)n1 ZINC000159787234 361849558 /nfs/dbraw/zinc/84/95/58/361849558.db2.gz LFPOXTLGJNPNOA-SNVBAGLBSA-N 1 2 271.386 1.758 20 70 CDIDLO Cn1cnnc1C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000160720626 360838455 /nfs/dbraw/zinc/83/84/55/360838455.db2.gz NGIDRSLKHBDDAC-UHFFFAOYSA-N 1 2 280.759 1.979 20 70 CDIDLO Cn1cnnc1C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000160720626 360838457 /nfs/dbraw/zinc/83/84/57/360838457.db2.gz NGIDRSLKHBDDAC-UHFFFAOYSA-N 1 2 280.759 1.979 20 70 CDIDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159432609 361697237 /nfs/dbraw/zinc/69/72/37/361697237.db2.gz PVMJNCFODBGGNJ-RYUDHWBXSA-N 1 2 265.357 1.931 20 70 CDIDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159432609 361697243 /nfs/dbraw/zinc/69/72/43/361697243.db2.gz PVMJNCFODBGGNJ-RYUDHWBXSA-N 1 2 265.357 1.931 20 70 CDIDLO CCC[C@](C)(O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159479216 361710754 /nfs/dbraw/zinc/71/07/54/361710754.db2.gz QBUSRONNKKQPGO-CJNGLKHVSA-N 1 2 293.411 1.752 20 70 CDIDLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000159839176 364272171 /nfs/dbraw/zinc/27/21/71/364272171.db2.gz UFVMUTSFQDFKPG-LLVKDONJSA-N 1 2 287.323 1.778 20 70 CDIDLO CCc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000160748147 364405496 /nfs/dbraw/zinc/40/54/96/364405496.db2.gz XKEACGOOMGVTOH-UHFFFAOYSA-N 1 2 262.353 1.311 20 70 CDIDLO Cc1ccoc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161020062 364438799 /nfs/dbraw/zinc/43/87/99/364438799.db2.gz LQQWWHOUTMKDMW-ZDUSSCGKSA-N 1 2 278.352 1.411 20 70 CDIDLO COc1ccccc1C[NH+]1CCN(CC(OC)OC)CC1 ZINC000160882152 364424336 /nfs/dbraw/zinc/42/43/36/364424336.db2.gz HDCIDXUCFUQXCS-UHFFFAOYSA-N 1 2 294.395 1.432 20 70 CDIDLO O=C(NCCn1cc[nH+]c1)c1cccc(-c2nc[nH]n2)c1 ZINC000160376158 526474406 /nfs/dbraw/zinc/47/44/06/526474406.db2.gz DZEYCCSACNJIRU-UHFFFAOYSA-N 1 2 282.307 1.098 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N[C@H](C)CCO)[nH+]1 ZINC000159907881 361927778 /nfs/dbraw/zinc/92/77/78/361927778.db2.gz DIWNOQNYQVNYJG-SECBINFHSA-N 1 2 253.350 1.244 20 70 CDIDLO CC(C)c1nc(N[C@H](C)CCO)nc(N(C)C)[nH+]1 ZINC000159907881 361927781 /nfs/dbraw/zinc/92/77/81/361927781.db2.gz DIWNOQNYQVNYJG-SECBINFHSA-N 1 2 253.350 1.244 20 70 CDIDLO CN(Cc1[nH+]ccn1C)C(=O)CCC(=O)NC1CCCC1 ZINC000160162369 539115486 /nfs/dbraw/zinc/11/54/86/539115486.db2.gz WGLSGNRGIRXWDK-UHFFFAOYSA-N 1 2 292.383 1.218 20 70 CDIDLO CCCCCNC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000160018479 363586590 /nfs/dbraw/zinc/58/65/90/363586590.db2.gz PUIRNTKTGBKDDO-ZDUSSCGKSA-N 1 2 288.457 1.747 20 70 CDIDLO CC[C@H](C)OCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000160000605 364292800 /nfs/dbraw/zinc/29/28/00/364292800.db2.gz IEILLOZPKZIDCD-VIFPVBQESA-N 1 2 283.397 1.885 20 70 CDIDLO CC[C@H](C)OCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000160000605 364292807 /nfs/dbraw/zinc/29/28/07/364292807.db2.gz IEILLOZPKZIDCD-VIFPVBQESA-N 1 2 283.397 1.885 20 70 CDIDLO CC[C@@H](C)OCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000160440175 364353886 /nfs/dbraw/zinc/35/38/86/364353886.db2.gz NOMPEYVBDFREBB-SNVBAGLBSA-N 1 2 251.330 1.901 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000161016132 364438300 /nfs/dbraw/zinc/43/83/00/364438300.db2.gz RGMOQPMBJSZFOO-JTQLQIEISA-N 1 2 265.357 1.744 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@H+]2C[C@H](C)OC(C)(C)C2)n1 ZINC000161016132 364438303 /nfs/dbraw/zinc/43/83/03/364438303.db2.gz RGMOQPMBJSZFOO-JTQLQIEISA-N 1 2 265.357 1.744 20 70 CDIDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000160887594 377122439 /nfs/dbraw/zinc/12/24/39/377122439.db2.gz BNEBDPFKQSGMNJ-ZDUSSCGKSA-N 1 2 278.400 1.955 20 70 CDIDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000160887594 377122452 /nfs/dbraw/zinc/12/24/52/377122452.db2.gz BNEBDPFKQSGMNJ-ZDUSSCGKSA-N 1 2 278.400 1.955 20 70 CDIDLO CCn1ccnc1C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000160829138 523528148 /nfs/dbraw/zinc/52/81/48/523528148.db2.gz NAPFKPIBZQQZGQ-UHFFFAOYSA-N 1 2 275.356 1.974 20 70 CDIDLO C[C@H]([C@H](C)N(C)Cc1c[nH+]c2ccccn12)S(C)(=O)=O ZINC000160401513 526026980 /nfs/dbraw/zinc/02/69/80/526026980.db2.gz CBYISNZOVLDQBV-NWDGAFQWSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@H]([C@H](C)[N@H+](C)Cc1cnc2ccccn12)S(C)(=O)=O ZINC000160401513 526026990 /nfs/dbraw/zinc/02/69/90/526026990.db2.gz CBYISNZOVLDQBV-NWDGAFQWSA-N 1 2 295.408 1.588 20 70 CDIDLO C[C@H]([C@H](C)[N@@H+](C)Cc1cnc2ccccn12)S(C)(=O)=O ZINC000160401513 526027000 /nfs/dbraw/zinc/02/70/00/526027000.db2.gz CBYISNZOVLDQBV-NWDGAFQWSA-N 1 2 295.408 1.588 20 70 CDIDLO Cc1cccc([C@@H](C)C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000159909227 361929338 /nfs/dbraw/zinc/92/93/38/361929338.db2.gz MSGVBORDPSWGBP-HUUCEWRRSA-N 1 2 290.407 1.935 20 70 CDIDLO O=C(COc1cccnc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218097387 344859710 /nfs/dbraw/zinc/85/97/10/344859710.db2.gz IYRTZRDRVXNVOP-ZDUSSCGKSA-N 1 2 298.346 1.251 20 70 CDIDLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159791148 362524079 /nfs/dbraw/zinc/52/40/79/362524079.db2.gz VGADYXPGUWTPTI-NSHDSACASA-N 1 2 250.342 1.746 20 70 CDIDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159791148 362524085 /nfs/dbraw/zinc/52/40/85/362524085.db2.gz VGADYXPGUWTPTI-NSHDSACASA-N 1 2 250.342 1.746 20 70 CDIDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccoc1C(=O)OC ZINC000161108032 362675502 /nfs/dbraw/zinc/67/55/02/362675502.db2.gz VLQLODOPIDROJS-UHFFFAOYSA-N 1 2 277.324 1.822 20 70 CDIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccoc1C(=O)OC ZINC000161108032 362675506 /nfs/dbraw/zinc/67/55/06/362675506.db2.gz VLQLODOPIDROJS-UHFFFAOYSA-N 1 2 277.324 1.822 20 70 CDIDLO CSCC[C@@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160665746 358979297 /nfs/dbraw/zinc/97/92/97/358979297.db2.gz VGHCRSHZNAOUKK-JTQLQIEISA-N 1 2 299.444 1.587 20 70 CDIDLO CSCC[C@@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160665746 358979300 /nfs/dbraw/zinc/97/93/00/358979300.db2.gz VGHCRSHZNAOUKK-JTQLQIEISA-N 1 2 299.444 1.587 20 70 CDIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159512569 364225445 /nfs/dbraw/zinc/22/54/45/364225445.db2.gz ZKZNEKMAWJZVNZ-SWLSCSKDSA-N 1 2 299.374 1.998 20 70 CDIDLO CCCOC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000160097590 364305992 /nfs/dbraw/zinc/30/59/92/364305992.db2.gz SFCPRCMTGVJSFH-LLVKDONJSA-N 1 2 253.346 1.584 20 70 CDIDLO CCCOC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000160097590 364306000 /nfs/dbraw/zinc/30/60/00/364306000.db2.gz SFCPRCMTGVJSFH-LLVKDONJSA-N 1 2 253.346 1.584 20 70 CDIDLO CCCC[N@H+](Cc1c(C)n[nH]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000160793064 377115816 /nfs/dbraw/zinc/11/58/16/377115816.db2.gz UQBBULOJBCGVRU-ZDUSSCGKSA-N 1 2 299.440 1.816 20 70 CDIDLO CCCC[N@@H+](Cc1c(C)n[nH]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000160793064 377115822 /nfs/dbraw/zinc/11/58/22/377115822.db2.gz UQBBULOJBCGVRU-ZDUSSCGKSA-N 1 2 299.440 1.816 20 70 CDIDLO CCCCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160841697 520777347 /nfs/dbraw/zinc/77/73/47/520777347.db2.gz XPVQUHSYBPJEPX-GFCCVEGCSA-N 1 2 265.357 1.378 20 70 CDIDLO CCC(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000160824020 521104765 /nfs/dbraw/zinc/10/47/65/521104765.db2.gz UCXFAOUQORAPLN-UHFFFAOYSA-N 1 2 264.373 1.347 20 70 CDIDLO CCC(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000160824020 521104773 /nfs/dbraw/zinc/10/47/73/521104773.db2.gz UCXFAOUQORAPLN-UHFFFAOYSA-N 1 2 264.373 1.347 20 70 CDIDLO CCC(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000160824020 521104785 /nfs/dbraw/zinc/10/47/85/521104785.db2.gz UCXFAOUQORAPLN-UHFFFAOYSA-N 1 2 264.373 1.347 20 70 CDIDLO Cc1nc2ccccn2c1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000159694013 361778997 /nfs/dbraw/zinc/77/89/97/361778997.db2.gz VSQNVXYIMVRJRA-HNNXBMFYSA-N 1 2 286.379 1.599 20 70 CDIDLO Cc1nc2ccccn2c1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000159694013 361779005 /nfs/dbraw/zinc/77/90/05/361779005.db2.gz VSQNVXYIMVRJRA-HNNXBMFYSA-N 1 2 286.379 1.599 20 70 CDIDLO CC(C)(C)c1nc(CSCC[NH+]2CCOCC2)no1 ZINC000159883183 361891018 /nfs/dbraw/zinc/89/10/18/361891018.db2.gz SCONAWDNQPGNTM-UHFFFAOYSA-N 1 2 285.413 1.933 20 70 CDIDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1O ZINC000159469060 362325107 /nfs/dbraw/zinc/32/51/07/362325107.db2.gz QKQYEQWGDWBQEE-MFKMUULPSA-N 1 2 282.771 1.981 20 70 CDIDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1O ZINC000159469060 362325114 /nfs/dbraw/zinc/32/51/14/362325114.db2.gz QKQYEQWGDWBQEE-MFKMUULPSA-N 1 2 282.771 1.981 20 70 CDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCC1 ZINC000159797761 363315601 /nfs/dbraw/zinc/31/56/01/363315601.db2.gz NKCXBIQNKZDSJM-LBPRGKRZSA-N 1 2 286.441 1.499 20 70 CDIDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000160033298 364296939 /nfs/dbraw/zinc/29/69/39/364296939.db2.gz OYNYVQGWKNOEEB-JLLWLGSASA-N 1 2 285.351 1.733 20 70 CDIDLO COc1ccc2ccccc2c1C[N@@H+]1CCNC(=O)C1 ZINC000160486787 364362008 /nfs/dbraw/zinc/36/20/08/364362008.db2.gz OOPXDISJGDEYOM-UHFFFAOYSA-N 1 2 270.332 1.780 20 70 CDIDLO COc1ccc2ccccc2c1C[N@H+]1CCNC(=O)C1 ZINC000160486787 364362013 /nfs/dbraw/zinc/36/20/13/364362013.db2.gz OOPXDISJGDEYOM-UHFFFAOYSA-N 1 2 270.332 1.780 20 70 CDIDLO CC[N@H+](CC(=O)Nc1cc(C)on1)Cc1cnn(C)c1 ZINC000161075305 362565022 /nfs/dbraw/zinc/56/50/22/362565022.db2.gz GOUFDMIXAVZLKB-UHFFFAOYSA-N 1 2 277.328 1.177 20 70 CDIDLO CC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1cnn(C)c1 ZINC000161075305 362565027 /nfs/dbraw/zinc/56/50/27/362565027.db2.gz GOUFDMIXAVZLKB-UHFFFAOYSA-N 1 2 277.328 1.177 20 70 CDIDLO CCC[N@H+](Cc1ccc(CO)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000161098959 362588291 /nfs/dbraw/zinc/58/82/91/362588291.db2.gz BXIOYPDPZISXQH-LLVKDONJSA-N 1 2 287.381 1.171 20 70 CDIDLO CCC[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000161098959 362588293 /nfs/dbraw/zinc/58/82/93/362588293.db2.gz BXIOYPDPZISXQH-LLVKDONJSA-N 1 2 287.381 1.171 20 70 CDIDLO CCCNC(=O)CN(CCC)Cc1[nH+]ccn1C ZINC000160818572 346617265 /nfs/dbraw/zinc/61/72/65/346617265.db2.gz GBOPYKKLYLRRKL-UHFFFAOYSA-N 1 2 252.362 1.158 20 70 CDIDLO COc1ccsc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000159593285 363036193 /nfs/dbraw/zinc/03/61/93/363036193.db2.gz XCQKKOKERJAYSP-UHFFFAOYSA-N 1 2 270.335 1.953 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159624870 364243570 /nfs/dbraw/zinc/24/35/70/364243570.db2.gz JOUSXZKQLNCEAV-IHRRRGAJSA-N 1 2 278.352 1.389 20 70 CDIDLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159624870 364243571 /nfs/dbraw/zinc/24/35/71/364243571.db2.gz JOUSXZKQLNCEAV-IHRRRGAJSA-N 1 2 278.352 1.389 20 70 CDIDLO COCC[N@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)C(N)=O ZINC000159508257 364223944 /nfs/dbraw/zinc/22/39/44/364223944.db2.gz VLXRVXAAAHVINL-ZDUSSCGKSA-N 1 2 292.379 1.390 20 70 CDIDLO COCC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)C(N)=O ZINC000159508257 364223948 /nfs/dbraw/zinc/22/39/48/364223948.db2.gz VLXRVXAAAHVINL-ZDUSSCGKSA-N 1 2 292.379 1.390 20 70 CDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1O ZINC000161366707 364483952 /nfs/dbraw/zinc/48/39/52/364483952.db2.gz HRCTXJYTOHHCRS-LBPRGKRZSA-N 1 2 283.331 1.796 20 70 CDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CCC2)C1 ZINC000160313646 365043756 /nfs/dbraw/zinc/04/37/56/365043756.db2.gz CIWFRZYXCIYCIX-ZDUSSCGKSA-N 1 2 281.400 1.293 20 70 CDIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1Cc2ccccc2C1 ZINC000161455301 284574187 /nfs/dbraw/zinc/57/41/87/284574187.db2.gz QLWGSTXIRIGVSX-LBPRGKRZSA-N 1 2 267.332 1.988 20 70 CDIDLO COCCC(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000160152014 377051295 /nfs/dbraw/zinc/05/12/95/377051295.db2.gz BNQUMEZHRLCVII-UHFFFAOYSA-N 1 2 288.351 1.248 20 70 CDIDLO COc1cccc(N2CC[NH+](Cc3cnnn3C)CC2)c1 ZINC000160682782 292792552 /nfs/dbraw/zinc/79/25/52/292792552.db2.gz RQASOZHCDKLCEV-UHFFFAOYSA-N 1 2 287.367 1.146 20 70 CDIDLO CCc1nnc(C[NH+]2CCC(CC(=O)N(C)C)CC2)[nH]1 ZINC000160728455 522296831 /nfs/dbraw/zinc/29/68/31/522296831.db2.gz WOTDPXLITFQUDL-UHFFFAOYSA-N 1 2 279.388 1.057 20 70 CDIDLO CC[C@@]1(C)C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159535924 362219171 /nfs/dbraw/zinc/21/91/71/362219171.db2.gz GTOUUEFXZJBDJZ-DOMZBBRYSA-N 1 2 268.401 1.650 20 70 CDIDLO CCCC(O)(CCC)CC(=O)NCCn1cc[nH+]c1 ZINC000159867622 364276314 /nfs/dbraw/zinc/27/63/14/364276314.db2.gz MQXQAGQWQNZCSH-UHFFFAOYSA-N 1 2 267.373 1.721 20 70 CDIDLO Cc1ccc(C(=O)CC[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000160067603 364302606 /nfs/dbraw/zinc/30/26/06/364302606.db2.gz GJOCTRJOULYTAS-AWEZNQCLSA-N 1 2 287.363 1.277 20 70 CDIDLO Cc1ccc(C(=O)CC[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000160067603 364302618 /nfs/dbraw/zinc/30/26/18/364302618.db2.gz GJOCTRJOULYTAS-AWEZNQCLSA-N 1 2 287.363 1.277 20 70 CDIDLO Cc1[nH]nc2ncc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc12 ZINC000160470174 369762842 /nfs/dbraw/zinc/76/28/42/369762842.db2.gz SVMJZDTUPLWFLK-JTQLQIEISA-N 1 2 296.334 1.664 20 70 CDIDLO CCc1nnc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)[nH]1 ZINC000160151707 362039384 /nfs/dbraw/zinc/03/93/84/362039384.db2.gz IRUSEQNEPHLDRR-GFCCVEGCSA-N 1 2 294.399 1.385 20 70 CDIDLO CCCCCNC(=O)C1CC[NH+](Cc2nncn2C)CC1 ZINC000160787699 362172636 /nfs/dbraw/zinc/17/26/36/362172636.db2.gz BCWGXQZTZHHFCS-UHFFFAOYSA-N 1 2 293.415 1.334 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161116909 362675253 /nfs/dbraw/zinc/67/52/53/362675253.db2.gz QGWSUXZDRSGDPV-QWHCGFSZSA-N 1 2 280.416 1.935 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161116909 362675260 /nfs/dbraw/zinc/67/52/60/362675260.db2.gz QGWSUXZDRSGDPV-QWHCGFSZSA-N 1 2 280.416 1.935 20 70 CDIDLO CS(=O)(=O)CCCC[N@@H+]1CCc2sccc2C1 ZINC000161319636 538853566 /nfs/dbraw/zinc/85/35/66/538853566.db2.gz VHSOUVNAOXMQHW-UHFFFAOYSA-N 1 2 273.423 1.931 20 70 CDIDLO CS(=O)(=O)CCCC[N@H+]1CCc2sccc2C1 ZINC000161319636 538853571 /nfs/dbraw/zinc/85/35/71/538853571.db2.gz VHSOUVNAOXMQHW-UHFFFAOYSA-N 1 2 273.423 1.931 20 70 CDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000160312971 363813075 /nfs/dbraw/zinc/81/30/75/363813075.db2.gz RCEWZLYTDGNCNS-SNVBAGLBSA-N 1 2 288.269 1.877 20 70 CDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000160312971 363813076 /nfs/dbraw/zinc/81/30/76/363813076.db2.gz RCEWZLYTDGNCNS-SNVBAGLBSA-N 1 2 288.269 1.877 20 70 CDIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159512320 364223800 /nfs/dbraw/zinc/22/38/00/364223800.db2.gz ZKZNEKMAWJZVNZ-WFASDCNBSA-N 1 2 299.374 1.998 20 70 CDIDLO COCc1nc2n(n1)C[C@H](Nc1cccc[nH+]1)CC2 ZINC000161367535 364483899 /nfs/dbraw/zinc/48/38/99/364483899.db2.gz XFOMTEKVZNMCEM-SNVBAGLBSA-N 1 2 259.313 1.246 20 70 CDIDLO O=C(c1ccc(Cl)o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000218080156 375787032 /nfs/dbraw/zinc/78/70/32/375787032.db2.gz LDYIJNQZGZZLFG-LLVKDONJSA-N 1 2 298.770 1.870 20 70 CDIDLO CC(C)N(C(=O)CSCC[NH+]1CCOCC1)C(C)C ZINC000159833214 292771366 /nfs/dbraw/zinc/77/13/66/292771366.db2.gz AKXHGSOQVUQZDT-UHFFFAOYSA-N 1 2 288.457 1.697 20 70 CDIDLO COc1ccccc1OCC[N@H+](C)Cc1nncn1C ZINC000160820144 362182088 /nfs/dbraw/zinc/18/20/88/362182088.db2.gz LCEQOBJLIITLBO-UHFFFAOYSA-N 1 2 276.340 1.335 20 70 CDIDLO COc1ccccc1OCC[N@@H+](C)Cc1nncn1C ZINC000160820144 362182094 /nfs/dbraw/zinc/18/20/94/362182094.db2.gz LCEQOBJLIITLBO-UHFFFAOYSA-N 1 2 276.340 1.335 20 70 CDIDLO COC(=O)c1cc(CSCC[NH+]2CCOCC2)oc1C ZINC000159768129 363288819 /nfs/dbraw/zinc/28/88/19/363288819.db2.gz YTFZAGSIIUUUQA-UHFFFAOYSA-N 1 2 299.392 1.940 20 70 CDIDLO CCC(CC)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000160018660 363587065 /nfs/dbraw/zinc/58/70/65/363587065.db2.gz TYGROMVTVQCGGG-GFCCVEGCSA-N 1 2 288.457 1.745 20 70 CDIDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nncn1C ZINC000160707354 360823812 /nfs/dbraw/zinc/82/38/12/360823812.db2.gz XMWIKWXNXOLWRL-GFCCVEGCSA-N 1 2 297.366 1.589 20 70 CDIDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nncn1C ZINC000160707354 360823817 /nfs/dbraw/zinc/82/38/17/360823817.db2.gz XMWIKWXNXOLWRL-GFCCVEGCSA-N 1 2 297.366 1.589 20 70 CDIDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)c1OC ZINC000160371014 363841215 /nfs/dbraw/zinc/84/12/15/363841215.db2.gz YWLAYCLNFAHYBQ-JTQLQIEISA-N 1 2 298.770 1.807 20 70 CDIDLO COc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1OC ZINC000160371014 363841221 /nfs/dbraw/zinc/84/12/21/363841221.db2.gz YWLAYCLNFAHYBQ-JTQLQIEISA-N 1 2 298.770 1.807 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccco1 ZINC000160539414 364369009 /nfs/dbraw/zinc/36/90/09/364369009.db2.gz VVFWMXLYPBCCEP-UHFFFAOYSA-N 1 2 259.371 1.925 20 70 CDIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccco1 ZINC000160539414 364369014 /nfs/dbraw/zinc/36/90/14/364369014.db2.gz VVFWMXLYPBCCEP-UHFFFAOYSA-N 1 2 259.371 1.925 20 70 CDIDLO COC(=O)[C@@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159978373 292775016 /nfs/dbraw/zinc/77/50/16/292775016.db2.gz KHKZWARZXWHSGV-NSHDSACASA-N 1 2 261.387 1.249 20 70 CDIDLO CC[C@@H]([NH2+]CCCN1CCc2ccccc21)C(=O)OC ZINC000159487734 362327879 /nfs/dbraw/zinc/32/78/79/362327879.db2.gz RWXKADTZCLTGNB-CQSZACIVSA-N 1 2 276.380 1.980 20 70 CDIDLO COc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)nn1 ZINC000159473256 345067882 /nfs/dbraw/zinc/06/78/82/345067882.db2.gz KKDQXZOTCJUXLQ-UHFFFAOYSA-N 1 2 297.318 1.371 20 70 CDIDLO Cn1ncc2c1nc[nH+]c2N[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000160033433 364297435 /nfs/dbraw/zinc/29/74/35/364297435.db2.gz OYNYVQGWKNOEEB-USWWRNFRSA-N 1 2 285.351 1.733 20 70 CDIDLO CC[N@H+](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000160583185 364377337 /nfs/dbraw/zinc/37/73/37/364377337.db2.gz INDFRPWTZXFGTD-NSHDSACASA-N 1 2 259.396 1.757 20 70 CDIDLO CC[N@@H+](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000160583185 364377342 /nfs/dbraw/zinc/37/73/42/364377342.db2.gz INDFRPWTZXFGTD-NSHDSACASA-N 1 2 259.396 1.757 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000218112024 375791860 /nfs/dbraw/zinc/79/18/60/375791860.db2.gz QOVSDXXSZJADAL-UHFFFAOYSA-N 1 2 270.340 1.475 20 70 CDIDLO COc1c(C)c[nH+]c(CN2CC[C@H](O)[C@H](C)C2)c1C ZINC000159438742 362322329 /nfs/dbraw/zinc/32/23/29/362322329.db2.gz PDOOAURFTHBEAL-RISCZKNCSA-N 1 2 264.369 1.910 20 70 CDIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1nccs1 ZINC000161113019 362677901 /nfs/dbraw/zinc/67/79/01/362677901.db2.gz XEOHVSNQMJNCRJ-SNVBAGLBSA-N 1 2 293.396 1.726 20 70 CDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1nccs1 ZINC000161113019 362677904 /nfs/dbraw/zinc/67/79/04/362677904.db2.gz XEOHVSNQMJNCRJ-SNVBAGLBSA-N 1 2 293.396 1.726 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159865180 364274445 /nfs/dbraw/zinc/27/44/45/364274445.db2.gz USXKIBHSHQPJBF-OLZOCXBDSA-N 1 2 288.457 1.745 20 70 CDIDLO Cc1c([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cnn1C ZINC000159791203 364265418 /nfs/dbraw/zinc/26/54/18/364265418.db2.gz ZBDQMKNODGOWLZ-XPTSAGLGSA-N 1 2 290.342 1.745 20 70 CDIDLO COC(=O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231520 364320692 /nfs/dbraw/zinc/32/06/92/364320692.db2.gz SVAPNIODIZAXIK-LBPRGKRZSA-N 1 2 295.314 1.195 20 70 CDIDLO COC(=O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231520 364320700 /nfs/dbraw/zinc/32/07/00/364320700.db2.gz SVAPNIODIZAXIK-LBPRGKRZSA-N 1 2 295.314 1.195 20 70 CDIDLO CC(C)[C@H](CNC(=O)c1cccc(F)n1)[NH+]1CCOCC1 ZINC000161243899 364469195 /nfs/dbraw/zinc/46/91/95/364469195.db2.gz BZGNEIIEXDMGLV-ZDUSSCGKSA-N 1 2 295.358 1.307 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000161271424 364472053 /nfs/dbraw/zinc/47/20/53/364472053.db2.gz IMXNEFOTSYRJQF-ZDUSSCGKSA-N 1 2 294.351 1.719 20 70 CDIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000161271424 364472057 /nfs/dbraw/zinc/47/20/57/364472057.db2.gz IMXNEFOTSYRJQF-ZDUSSCGKSA-N 1 2 294.351 1.719 20 70 CDIDLO CC(C)c1nc(N(C)[C@@H]2CCOC2)nc(N(C)C)[nH+]1 ZINC000159594683 539114458 /nfs/dbraw/zinc/11/44/58/539114458.db2.gz UINJEYRVPUEPTO-SNVBAGLBSA-N 1 2 265.361 1.286 20 70 CDIDLO CC(C)c1nc(N(C)C)nc(N(C)[C@@H]2CCOC2)[nH+]1 ZINC000159594683 539114459 /nfs/dbraw/zinc/11/44/59/539114459.db2.gz UINJEYRVPUEPTO-SNVBAGLBSA-N 1 2 265.361 1.286 20 70 CDIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000160273656 362406794 /nfs/dbraw/zinc/40/67/94/362406794.db2.gz OYELWJHTIVFZNE-JTQLQIEISA-N 1 2 288.351 1.989 20 70 CDIDLO CC[C@H](C)CS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000160985047 364435454 /nfs/dbraw/zinc/43/54/54/364435454.db2.gz QPNNWHZIAGXMEP-JTQLQIEISA-N 1 2 270.354 1.656 20 70 CDIDLO COc1cc(OC)c(OC)cc1C[N@H+](C)CC(=O)N(C)C ZINC000161259760 364471236 /nfs/dbraw/zinc/47/12/36/364471236.db2.gz HADRZXRCSFECCN-UHFFFAOYSA-N 1 2 296.367 1.232 20 70 CDIDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)CC(=O)N(C)C ZINC000161259760 364471243 /nfs/dbraw/zinc/47/12/43/364471243.db2.gz HADRZXRCSFECCN-UHFFFAOYSA-N 1 2 296.367 1.232 20 70 CDIDLO CCN(CC)C(=O)CN(C)Cc1[nH+]ccn1CC ZINC000160716445 292793314 /nfs/dbraw/zinc/79/33/14/292793314.db2.gz FAHGBCMNAQMBHF-UHFFFAOYSA-N 1 2 252.362 1.203 20 70 CDIDLO Cc1nc(C)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000161436842 364491888 /nfs/dbraw/zinc/49/18/88/364491888.db2.gz BDKVCUVBDLWXJU-LBPRGKRZSA-N 1 2 286.335 1.695 20 70 CDIDLO Cc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc[nH+]1 ZINC000161503754 364504469 /nfs/dbraw/zinc/50/44/69/364504469.db2.gz AFMWWBDAYRAOQZ-SECBINFHSA-N 1 2 288.273 1.750 20 70 CDIDLO CNC(=O)C(C)(C)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000161102030 377157368 /nfs/dbraw/zinc/15/73/68/377157368.db2.gz SHKGDQAPNHFDJU-UHFFFAOYSA-N 1 2 264.373 1.958 20 70 CDIDLO Cc1cccc(CS(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000216735384 140163648 /nfs/dbraw/zinc/16/36/48/140163648.db2.gz OPCUDDKFDTVBFB-CYBMUJFWSA-N 1 2 282.409 1.461 20 70 CDIDLO Cc1cccc(CS(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000216735384 140163649 /nfs/dbraw/zinc/16/36/49/140163649.db2.gz OPCUDDKFDTVBFB-CYBMUJFWSA-N 1 2 282.409 1.461 20 70 CDIDLO C[C@@H]1[C@H](C)N(Cc2c[nH+]c3ccccn23)CCS1(=O)=O ZINC000160509278 534250330 /nfs/dbraw/zinc/25/03/30/534250330.db2.gz MFSXYIQHGUNADA-NWDGAFQWSA-N 1 2 293.392 1.342 20 70 CDIDLO C[C@@H](C[NH+]1CCOCC1)Nc1nnc(C(C)(C)C)s1 ZINC000160290384 539115711 /nfs/dbraw/zinc/11/57/11/539115711.db2.gz VRIZKSFTWGLELX-JTQLQIEISA-N 1 2 284.429 1.968 20 70 CDIDLO O=C(NC1(CO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000160357623 363833065 /nfs/dbraw/zinc/83/30/65/363833065.db2.gz LYIQAMJFDJVYDE-UHFFFAOYSA-N 1 2 257.293 1.127 20 70 CDIDLO CCCS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159480550 364215269 /nfs/dbraw/zinc/21/52/69/364215269.db2.gz CXIKBFCZUQDRLW-UHFFFAOYSA-N 1 2 292.445 1.016 20 70 CDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C)c1C ZINC000159809043 364268981 /nfs/dbraw/zinc/26/89/81/364268981.db2.gz IGKHFPDUMOHSGG-AWEZNQCLSA-N 1 2 290.363 1.167 20 70 CDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C)c1C ZINC000159809043 364268987 /nfs/dbraw/zinc/26/89/87/364268987.db2.gz IGKHFPDUMOHSGG-AWEZNQCLSA-N 1 2 290.363 1.167 20 70 CDIDLO COCC(C)(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000160069277 364301906 /nfs/dbraw/zinc/30/19/06/364301906.db2.gz CKTHOPIYKIMMDI-UHFFFAOYSA-N 1 2 253.346 1.404 20 70 CDIDLO COc1cc(F)c(C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000161109312 364450018 /nfs/dbraw/zinc/45/00/18/364450018.db2.gz ALQQXMFGSBXSAV-UHFFFAOYSA-N 1 2 282.315 1.231 20 70 CDIDLO COC(CN(CC[NH+]1CCOCC1)c1ccccc1)OC ZINC000161417620 364490942 /nfs/dbraw/zinc/49/09/42/364490942.db2.gz UOBLPVMWWMWQKA-UHFFFAOYSA-N 1 2 294.395 1.444 20 70 CDIDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc2c(c1)OCO2 ZINC000160458322 523910531 /nfs/dbraw/zinc/91/05/31/523910531.db2.gz JZHACUTZZFAAGD-NSHDSACASA-N 1 2 299.330 1.837 20 70 CDIDLO CC(C)COC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000159577082 362930456 /nfs/dbraw/zinc/93/04/56/362930456.db2.gz IEZGMGATKPLCNC-UHFFFAOYSA-N 1 2 297.399 1.019 20 70 CDIDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000159636418 363090735 /nfs/dbraw/zinc/09/07/35/363090735.db2.gz DQWHNGKEGYLFFH-AWEZNQCLSA-N 1 2 286.379 1.975 20 70 CDIDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000159636418 363090739 /nfs/dbraw/zinc/09/07/39/363090739.db2.gz DQWHNGKEGYLFFH-AWEZNQCLSA-N 1 2 286.379 1.975 20 70 CDIDLO COC(=O)c1ccc(-c2nnn(CCn3cc[nH+]c3)n2)cc1 ZINC000160149478 363685239 /nfs/dbraw/zinc/68/52/39/363685239.db2.gz HSRFEJNQJWFFED-UHFFFAOYSA-N 1 2 298.306 1.023 20 70 CDIDLO CCCCn1ncc(C(=O)N(C)Cc2[nH+]ccn2C)c1C ZINC000160201297 363751100 /nfs/dbraw/zinc/75/11/00/363751100.db2.gz FOLBPFDDAHBBDA-UHFFFAOYSA-N 1 2 289.383 1.997 20 70 CDIDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000216734940 364093457 /nfs/dbraw/zinc/09/34/57/364093457.db2.gz PWVIWDRCWLCXIS-CQSZACIVSA-N 1 2 296.436 1.936 20 70 CDIDLO Cc1cc(C)c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000216734940 364093459 /nfs/dbraw/zinc/09/34/59/364093459.db2.gz PWVIWDRCWLCXIS-CQSZACIVSA-N 1 2 296.436 1.936 20 70 CDIDLO CC[C@@H](O)CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000160762486 364406689 /nfs/dbraw/zinc/40/66/89/364406689.db2.gz XGOIBHAEXJDQOI-GFCCVEGCSA-N 1 2 276.340 1.295 20 70 CDIDLO CCN(CC)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000160790373 364409118 /nfs/dbraw/zinc/40/91/18/364409118.db2.gz OODNXZNEWINRQQ-UHFFFAOYSA-N 1 2 291.395 1.972 20 70 CDIDLO CC(C)CONC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160884400 364423514 /nfs/dbraw/zinc/42/35/14/364423514.db2.gz IOWZETVFRAZFSM-UHFFFAOYSA-N 1 2 292.383 1.496 20 70 CDIDLO CCC[N@H+](Cc1cn(C)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161074451 377131323 /nfs/dbraw/zinc/13/13/23/377131323.db2.gz LPSMAAKEYAVBRQ-CYBMUJFWSA-N 1 2 285.413 1.128 20 70 CDIDLO CC[C@H](NC(=O)c1cnn2ccccc12)c1[nH]cc[nH+]1 ZINC000218084747 140164448 /nfs/dbraw/zinc/16/44/48/140164448.db2.gz VHOGZPYCIDKGCI-NSHDSACASA-N 1 2 269.308 1.939 20 70 CDIDLO CCC[C@@H](SCC[NH+]1CCOCC1)C(=O)OCC ZINC000159941641 292774358 /nfs/dbraw/zinc/77/43/58/292774358.db2.gz AIZQXVPAPGRZBG-GFCCVEGCSA-N 1 2 275.414 1.784 20 70 CDIDLO CC(C)CCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160841203 519667909 /nfs/dbraw/zinc/66/79/09/519667909.db2.gz KDNIBZISLXWRRN-CYBMUJFWSA-N 1 2 279.384 1.624 20 70 CDIDLO COc1cccc(N2CC[NH+](Cc3cc[nH]n3)CC2)c1 ZINC000160697623 526154825 /nfs/dbraw/zinc/15/48/25/526154825.db2.gz YJTXWDJRGIIFSC-UHFFFAOYSA-N 1 2 272.352 1.741 20 70 CDIDLO COC(=O)c1coc(CSCC[NH+]2CCOCC2)c1 ZINC000159813202 363338620 /nfs/dbraw/zinc/33/86/20/363338620.db2.gz OJNNARKMBCRKBL-UHFFFAOYSA-N 1 2 285.365 1.632 20 70 CDIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)cc1 ZINC000159511495 364223681 /nfs/dbraw/zinc/22/36/81/364223681.db2.gz RXJLFCQMEGIMEE-MNOVXSKESA-N 1 2 278.352 1.529 20 70 CDIDLO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)cc1 ZINC000159511495 364223687 /nfs/dbraw/zinc/22/36/87/364223687.db2.gz RXJLFCQMEGIMEE-MNOVXSKESA-N 1 2 278.352 1.529 20 70 CDIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCCCO1 ZINC000160682312 364394099 /nfs/dbraw/zinc/39/40/99/364394099.db2.gz QAWAEHWEXXTEOP-CQSZACIVSA-N 1 2 289.379 1.867 20 70 CDIDLO O=C(/C=C\c1ccc2c(c1)CCO2)NCc1[nH]cc[nH+]1 ZINC000217000030 280088454 /nfs/dbraw/zinc/08/84/54/280088454.db2.gz TXJJJWGOFYIZCF-RQOWECAXSA-N 1 2 269.304 1.674 20 70 CDIDLO C[N@@H+]1CCc2nc(NC(=O)C3(C)CC3)sc2C1 ZINC000159631627 290254465 /nfs/dbraw/zinc/25/44/65/290254465.db2.gz CDZMCHNEAYZWIB-UHFFFAOYSA-N 1 2 251.355 1.870 20 70 CDIDLO C[N@H+]1CCc2nc(NC(=O)C3(C)CC3)sc2C1 ZINC000159631627 290254471 /nfs/dbraw/zinc/25/44/71/290254471.db2.gz CDZMCHNEAYZWIB-UHFFFAOYSA-N 1 2 251.355 1.870 20 70 CDIDLO Cc1nnc([C@@H](C)SCC[NH+]2CCOCC2)o1 ZINC000159855135 361883089 /nfs/dbraw/zinc/88/30/89/361883089.db2.gz HKLXFXHTZWUIBO-SECBINFHSA-N 1 2 257.359 1.504 20 70 CDIDLO C[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)CC[C@@H]1O ZINC000159420288 539114130 /nfs/dbraw/zinc/11/41/30/539114130.db2.gz YTWHNMUXOPWNQQ-GWCFXTLKSA-N 1 2 273.336 1.126 20 70 CDIDLO C[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)CC[C@@H]1O ZINC000159420288 539114131 /nfs/dbraw/zinc/11/41/31/539114131.db2.gz YTWHNMUXOPWNQQ-GWCFXTLKSA-N 1 2 273.336 1.126 20 70 CDIDLO CC1(O)CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000161214171 539117351 /nfs/dbraw/zinc/11/73/51/539117351.db2.gz FIGFBGCCXDJRKU-UHFFFAOYSA-N 1 2 273.336 1.270 20 70 CDIDLO CN(C)c1[nH+]cccc1NC(=O)c1cnc2c(c1)ncn2C ZINC000160202346 362054342 /nfs/dbraw/zinc/05/43/42/362054342.db2.gz BFYAYFMOWMQAHD-UHFFFAOYSA-N 1 2 296.334 1.682 20 70 CDIDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159791261 362523427 /nfs/dbraw/zinc/52/34/27/362523427.db2.gz VGADYXPGUWTPTI-LLVKDONJSA-N 1 2 250.342 1.746 20 70 CDIDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159791261 362523428 /nfs/dbraw/zinc/52/34/28/362523428.db2.gz VGADYXPGUWTPTI-LLVKDONJSA-N 1 2 250.342 1.746 20 70 CDIDLO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1cc(C)ccc1C ZINC000159518274 345194342 /nfs/dbraw/zinc/19/43/42/345194342.db2.gz SBSWSYLUXOXYMC-CQSZACIVSA-N 1 2 295.379 1.538 20 70 CDIDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1cc(C)ccc1C ZINC000159518274 345194346 /nfs/dbraw/zinc/19/43/46/345194346.db2.gz SBSWSYLUXOXYMC-CQSZACIVSA-N 1 2 295.379 1.538 20 70 CDIDLO CCCCCNC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161116171 362675094 /nfs/dbraw/zinc/67/50/94/362675094.db2.gz KIAWDWXKAOVCFH-ZDUSSCGKSA-N 1 2 280.416 1.937 20 70 CDIDLO CCCCCNC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161116171 362675100 /nfs/dbraw/zinc/67/51/00/362675100.db2.gz KIAWDWXKAOVCFH-ZDUSSCGKSA-N 1 2 280.416 1.937 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000161117021 362675339 /nfs/dbraw/zinc/67/53/39/362675339.db2.gz QGWSUXZDRSGDPV-OLZOCXBDSA-N 1 2 280.416 1.935 20 70 CDIDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1 ZINC000161117021 362675344 /nfs/dbraw/zinc/67/53/44/362675344.db2.gz QGWSUXZDRSGDPV-OLZOCXBDSA-N 1 2 280.416 1.935 20 70 CDIDLO CC1(O)CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000161194296 188513640 /nfs/dbraw/zinc/51/36/40/188513640.db2.gz AFZHSEQKIAZWKU-UHFFFAOYSA-N 1 2 284.306 1.750 20 70 CDIDLO O=C(Nc1nccs1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159807770 364269033 /nfs/dbraw/zinc/26/90/33/364269033.db2.gz VSLAMLQHCIZLNG-JTQLQIEISA-N 1 2 289.364 1.939 20 70 CDIDLO CCC1(CO)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000160730859 364401915 /nfs/dbraw/zinc/40/19/15/364401915.db2.gz RNLYXWRNLDANRG-UHFFFAOYSA-N 1 2 294.399 1.467 20 70 CDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(O)cc1O ZINC000161376161 364486452 /nfs/dbraw/zinc/48/64/52/364486452.db2.gz IOTOSRXJMJPVBI-NSHDSACASA-N 1 2 299.330 1.502 20 70 CDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000159846536 292771521 /nfs/dbraw/zinc/77/15/21/292771521.db2.gz QQDAHYMLZSRMPI-LLVKDONJSA-N 1 2 275.414 1.782 20 70 CDIDLO O=C(/C=C/c1cccnc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161336855 527638118 /nfs/dbraw/zinc/63/81/18/527638118.db2.gz HIMVTLFIALNLDW-LQYUOIDQSA-N 1 2 294.358 1.885 20 70 CDIDLO CC[C@H]([NH2+]CCCN1CCc2ccccc21)C(=O)OC ZINC000159487610 362327915 /nfs/dbraw/zinc/32/79/15/362327915.db2.gz RWXKADTZCLTGNB-AWEZNQCLSA-N 1 2 276.380 1.980 20 70 CDIDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159432458 361697444 /nfs/dbraw/zinc/69/74/44/361697444.db2.gz PVMJNCFODBGGNJ-NEPJUHHUSA-N 1 2 265.357 1.931 20 70 CDIDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000159432458 361697449 /nfs/dbraw/zinc/69/74/49/361697449.db2.gz PVMJNCFODBGGNJ-NEPJUHHUSA-N 1 2 265.357 1.931 20 70 CDIDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c1 ZINC000159542285 364229717 /nfs/dbraw/zinc/22/97/17/364229717.db2.gz MWVWIHAJGCIIJT-MNOVXSKESA-N 1 2 278.352 1.529 20 70 CDIDLO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)c1 ZINC000159542285 364229722 /nfs/dbraw/zinc/22/97/22/364229722.db2.gz MWVWIHAJGCIIJT-MNOVXSKESA-N 1 2 278.352 1.529 20 70 CDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CCC2)C1 ZINC000160313789 365044319 /nfs/dbraw/zinc/04/43/19/365044319.db2.gz CIWFRZYXCIYCIX-CYBMUJFWSA-N 1 2 281.400 1.293 20 70 CDIDLO Cc1cc(F)ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000216735055 140163792 /nfs/dbraw/zinc/16/37/92/140163792.db2.gz UJRXADGCXZTGBC-LLVKDONJSA-N 1 2 286.372 1.459 20 70 CDIDLO Cc1cc(F)ccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000216735055 140163793 /nfs/dbraw/zinc/16/37/93/140163793.db2.gz UJRXADGCXZTGBC-LLVKDONJSA-N 1 2 286.372 1.459 20 70 CDIDLO C[C@H]1CC(NC(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000159710775 292766831 /nfs/dbraw/zinc/76/68/31/292766831.db2.gz XMZZGDJNCFZDJB-QWRGUYRKSA-N 1 2 266.345 1.138 20 70 CDIDLO CC[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1cnn(C)c1 ZINC000161076841 362560647 /nfs/dbraw/zinc/56/06/47/362560647.db2.gz BYNKTVHAMJPZRP-UHFFFAOYSA-N 1 2 280.416 1.887 20 70 CDIDLO CC[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1cnn(C)c1 ZINC000161076841 362560654 /nfs/dbraw/zinc/56/06/54/362560654.db2.gz BYNKTVHAMJPZRP-UHFFFAOYSA-N 1 2 280.416 1.887 20 70 CDIDLO CCc1nnc(CN2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000159584436 364238304 /nfs/dbraw/zinc/23/83/04/364238304.db2.gz NVBDMKNXFLTBJS-UHFFFAOYSA-N 1 2 286.383 1.080 20 70 CDIDLO Cc1ccc(NC(=O)C(=O)NCCn2cccc2)c(C)[nH+]1 ZINC000160080261 364303731 /nfs/dbraw/zinc/30/37/31/364303731.db2.gz UMOHKGZFPYGHHF-UHFFFAOYSA-N 1 2 286.335 1.255 20 70 CDIDLO C[C@@H](CNC(=O)[C@H]1OCCc2ccccc21)Cn1cc[nH+]c1 ZINC000160605281 364381115 /nfs/dbraw/zinc/38/11/15/364381115.db2.gz LVPWFRATWCOTGV-BBRMVZONSA-N 1 2 299.374 1.949 20 70 CDIDLO O=C(N[C@@H]1CCc2c1cccc2O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161344404 373503929 /nfs/dbraw/zinc/50/39/29/373503929.db2.gz WESLMEBMUFHMCY-BXUZGUMPSA-N 1 2 297.358 1.955 20 70 CDIDLO CC[C@H](NC[C@H](CC(C)C)[NH+]1CCOCC1)C(=O)OC ZINC000159483485 522627938 /nfs/dbraw/zinc/62/79/38/522627938.db2.gz DJSXBLXRKAGBPH-KBPBESRZSA-N 1 2 286.416 1.275 20 70 CDIDLO CC[C@H]([NH2+]C[C@H](CC(C)C)N1CCOCC1)C(=O)OC ZINC000159483485 522627949 /nfs/dbraw/zinc/62/79/49/522627949.db2.gz DJSXBLXRKAGBPH-KBPBESRZSA-N 1 2 286.416 1.275 20 70 CDIDLO CCCCNC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159956995 292774310 /nfs/dbraw/zinc/77/43/10/292774310.db2.gz UYDBQOAWXSODET-LBPRGKRZSA-N 1 2 274.430 1.357 20 70 CDIDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(S(=O)(=O)F)ccn1 ZINC001164637453 719256383 /nfs/dbraw/zinc/25/63/83/719256383.db2.gz VOJBFYXJCIDFKD-NXEZZACHSA-N 1 2 287.360 1.269 20 70 CDIDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(S(=O)(=O)F)ccn1 ZINC001164637453 719256384 /nfs/dbraw/zinc/25/63/84/719256384.db2.gz VOJBFYXJCIDFKD-NXEZZACHSA-N 1 2 287.360 1.269 20 70 CDIDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(S(=O)(=O)F)ccn1 ZINC001164637455 719256626 /nfs/dbraw/zinc/25/66/26/719256626.db2.gz VOJBFYXJCIDFKD-VHSXEESVSA-N 1 2 287.360 1.269 20 70 CDIDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(S(=O)(=O)F)ccn1 ZINC001164637455 719256630 /nfs/dbraw/zinc/25/66/30/719256630.db2.gz VOJBFYXJCIDFKD-VHSXEESVSA-N 1 2 287.360 1.269 20 70 CDIDLO CN(CC1CCOCC1)c1[nH+]cnc2c1cnn2C ZINC000161244926 529866306 /nfs/dbraw/zinc/86/63/06/529866306.db2.gz VLFUBEGIYYOYIF-UHFFFAOYSA-N 1 2 261.329 1.226 20 70 CDIDLO CCOC(=O)C[N@H+](C)C[C@H](O)COc1cc(C)ccc1C ZINC000159518114 345194461 /nfs/dbraw/zinc/19/44/61/345194461.db2.gz SBSWSYLUXOXYMC-AWEZNQCLSA-N 1 2 295.379 1.538 20 70 CDIDLO CCOC(=O)C[N@@H+](C)C[C@H](O)COc1cc(C)ccc1C ZINC000159518114 345194463 /nfs/dbraw/zinc/19/44/63/345194463.db2.gz SBSWSYLUXOXYMC-AWEZNQCLSA-N 1 2 295.379 1.538 20 70 CDIDLO Cn1cc[nH+]c1CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000160761290 361215505 /nfs/dbraw/zinc/21/55/05/361215505.db2.gz AEZZOCLTYDASPC-ZDUSSCGKSA-N 1 2 288.351 1.294 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000160372776 363836078 /nfs/dbraw/zinc/83/60/78/363836078.db2.gz YSAPHNXYSYUAIL-AWEZNQCLSA-N 1 2 288.326 1.461 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000160372776 363836081 /nfs/dbraw/zinc/83/60/81/363836081.db2.gz YSAPHNXYSYUAIL-AWEZNQCLSA-N 1 2 288.326 1.461 20 70 CDIDLO Cc1ccc(NCc2c[nH+]cn2C)cc1NS(C)(=O)=O ZINC000159818444 364270660 /nfs/dbraw/zinc/27/06/60/364270660.db2.gz QTSKXCTXYFZNKC-UHFFFAOYSA-N 1 2 294.380 1.712 20 70 CDIDLO Cc1noc([C@@H]2COCCN2Cc2c[nH+]c3ccccn23)n1 ZINC000161123331 367222961 /nfs/dbraw/zinc/22/29/61/367222961.db2.gz CLMPQPPHOGGBFN-ZDUSSCGKSA-N 1 2 299.334 1.599 20 70 CDIDLO CC[N@H+](CC(=O)NC1CCCC1)Cc1cnn(C)c1 ZINC000161079961 377131413 /nfs/dbraw/zinc/13/14/13/377131413.db2.gz OCTRLZFNBHNONS-UHFFFAOYSA-N 1 2 264.373 1.301 20 70 CDIDLO CCC[N@H+](Cc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161112582 377157699 /nfs/dbraw/zinc/15/76/99/377157699.db2.gz VMQZWNXZNZFDQN-NSHDSACASA-N 1 2 288.438 1.851 20 70 CDIDLO CCC[N@@H+](Cc1scnc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161112582 377157709 /nfs/dbraw/zinc/15/77/09/377157709.db2.gz VMQZWNXZNZFDQN-NSHDSACASA-N 1 2 288.438 1.851 20 70 CDIDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000216735227 140163938 /nfs/dbraw/zinc/16/39/38/140163938.db2.gz GKSOBHVROHYCSX-GFCCVEGCSA-N 1 2 268.382 1.320 20 70 CDIDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000216735227 140163939 /nfs/dbraw/zinc/16/39/39/140163939.db2.gz GKSOBHVROHYCSX-GFCCVEGCSA-N 1 2 268.382 1.320 20 70 CDIDLO CC[N@H+](CC(=O)NCc1ccccc1)Cc1cnn(C)c1 ZINC000161082694 362576798 /nfs/dbraw/zinc/57/67/98/362576798.db2.gz UCXWLCLREOQIOX-UHFFFAOYSA-N 1 2 286.379 1.558 20 70 CDIDLO CC[N@@H+](CC(=O)NCc1ccccc1)Cc1cnn(C)c1 ZINC000161082694 362576801 /nfs/dbraw/zinc/57/68/01/362576801.db2.gz UCXWLCLREOQIOX-UHFFFAOYSA-N 1 2 286.379 1.558 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000160374745 363836834 /nfs/dbraw/zinc/83/68/34/363836834.db2.gz WLHSMYHLNIMFJV-LBPRGKRZSA-N 1 2 288.376 1.655 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000160374745 363836838 /nfs/dbraw/zinc/83/68/38/363836838.db2.gz WLHSMYHLNIMFJV-LBPRGKRZSA-N 1 2 288.376 1.655 20 70 CDIDLO O=C(CSCC[NH+]1CCOCC1)OCc1ccccc1 ZINC000159806897 364269135 /nfs/dbraw/zinc/26/91/35/364269135.db2.gz CWGPEQCDGWZANK-UHFFFAOYSA-N 1 2 295.404 1.795 20 70 CDIDLO COc1ccc2cc(C[N@@H+]3CCNC(=O)C3)ccc2c1 ZINC000160487770 364362279 /nfs/dbraw/zinc/36/22/79/364362279.db2.gz ACBDAGUTKQJSTJ-UHFFFAOYSA-N 1 2 270.332 1.780 20 70 CDIDLO COc1ccc2cc(C[N@H+]3CCNC(=O)C3)ccc2c1 ZINC000160487770 364362286 /nfs/dbraw/zinc/36/22/86/364362286.db2.gz ACBDAGUTKQJSTJ-UHFFFAOYSA-N 1 2 270.332 1.780 20 70 CDIDLO COC(C[N@@H+]1CCO[C@@H](c2ccccc2F)C1)OC ZINC000160861541 364420996 /nfs/dbraw/zinc/42/09/96/364420996.db2.gz JQUMOCXDXSLZJH-CYBMUJFWSA-N 1 2 269.316 1.818 20 70 CDIDLO COC(C[N@H+]1CCO[C@@H](c2ccccc2F)C1)OC ZINC000160861541 364421002 /nfs/dbraw/zinc/42/10/02/364421002.db2.gz JQUMOCXDXSLZJH-CYBMUJFWSA-N 1 2 269.316 1.818 20 70 CDIDLO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1nc(C(C)(C)C)no1 ZINC000161274523 377201001 /nfs/dbraw/zinc/20/10/01/377201001.db2.gz KJUHWBIHSIKDDX-RKDXNWHRSA-N 1 2 266.345 1.248 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000216734774 140163270 /nfs/dbraw/zinc/16/32/70/140163270.db2.gz UYOFSRTZYAOMLZ-CYBMUJFWSA-N 1 2 282.409 1.628 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1C ZINC000216734774 140163271 /nfs/dbraw/zinc/16/32/71/140163271.db2.gz UYOFSRTZYAOMLZ-CYBMUJFWSA-N 1 2 282.409 1.628 20 70 CDIDLO CC(C)c1noc(C[NH+]2CCC(OCCO)CC2)n1 ZINC000160436738 519902750 /nfs/dbraw/zinc/90/27/50/519902750.db2.gz IYRXWOXCQUBPAR-UHFFFAOYSA-N 1 2 269.345 1.166 20 70 CDIDLO Cn1cnc(-c2ccc(NC(=O)NCc3[nH]cc[nH+]3)cc2)n1 ZINC000160676394 527475492 /nfs/dbraw/zinc/47/54/92/527475492.db2.gz QHRJYUWDKGBOHE-UHFFFAOYSA-N 1 2 297.322 1.527 20 70 CDIDLO CCCCn1ncc(C(=O)NCCn2cc[nH+]c2)c1C ZINC000160021993 529094560 /nfs/dbraw/zinc/09/45/60/529094560.db2.gz JSZJEGLAFZLULC-UHFFFAOYSA-N 1 2 275.356 1.618 20 70 CDIDLO CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159884732 361891637 /nfs/dbraw/zinc/89/16/37/361891637.db2.gz UCLITOQLBBLHIK-ZDUSSCGKSA-N 1 2 285.347 1.810 20 70 CDIDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1O ZINC000159469202 362325025 /nfs/dbraw/zinc/32/50/25/362325025.db2.gz QKQYEQWGDWBQEE-GWCFXTLKSA-N 1 2 282.771 1.981 20 70 CDIDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1O ZINC000159469202 362325030 /nfs/dbraw/zinc/32/50/30/362325030.db2.gz QKQYEQWGDWBQEE-GWCFXTLKSA-N 1 2 282.771 1.981 20 70 CDIDLO C(C[NH+]1CCOCC1)SCc1nnc(C2CC2)o1 ZINC000159777424 363297291 /nfs/dbraw/zinc/29/72/91/363297291.db2.gz GAHOVJDUYPOCKN-UHFFFAOYSA-N 1 2 269.370 1.512 20 70 CDIDLO Cc1[nH+]c2ccccn2c1CN(C)[C@@H](C)CS(C)(=O)=O ZINC000160369610 358597678 /nfs/dbraw/zinc/59/76/78/358597678.db2.gz JOFISBXLZGCDRH-NSHDSACASA-N 1 2 295.408 1.508 20 70 CDIDLO CC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000160167941 363701125 /nfs/dbraw/zinc/70/11/25/363701125.db2.gz CZYGIXFPGFMWBY-UHFFFAOYSA-N 1 2 298.390 1.779 20 70 CDIDLO C[C@H](O)C[N@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000159505937 364223113 /nfs/dbraw/zinc/22/31/13/364223113.db2.gz MUVTUJMCGLFVOH-QWRGUYRKSA-N 1 2 261.329 1.036 20 70 CDIDLO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000159505937 364223119 /nfs/dbraw/zinc/22/31/19/364223119.db2.gz MUVTUJMCGLFVOH-QWRGUYRKSA-N 1 2 261.329 1.036 20 70 CDIDLO Cc1c([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cnn1C ZINC000159791480 364265390 /nfs/dbraw/zinc/26/53/90/364265390.db2.gz ZBDQMKNODGOWLZ-LKFCYVNXSA-N 1 2 290.342 1.745 20 70 CDIDLO CCc1ccc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)o1 ZINC000160557289 364373958 /nfs/dbraw/zinc/37/39/58/364373958.db2.gz SHBKOAVJPQUFDJ-NSHDSACASA-N 1 2 271.382 1.851 20 70 CDIDLO CCc1ccc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)o1 ZINC000160557289 364373961 /nfs/dbraw/zinc/37/39/61/364373961.db2.gz SHBKOAVJPQUFDJ-NSHDSACASA-N 1 2 271.382 1.851 20 70 CDIDLO O=C(N[C@@H]1CCc2c1cccc2O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161344664 373504179 /nfs/dbraw/zinc/50/41/79/373504179.db2.gz WESLMEBMUFHMCY-SMDDNHRTSA-N 1 2 297.358 1.955 20 70 CDIDLO COC(=O)[C@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159978526 292774982 /nfs/dbraw/zinc/77/49/82/292774982.db2.gz KHKZWARZXWHSGV-LLVKDONJSA-N 1 2 261.387 1.249 20 70 CDIDLO CCc1ccc(CC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160592395 523910214 /nfs/dbraw/zinc/91/02/14/523910214.db2.gz ULFXKZNNJAIQOK-CQSZACIVSA-N 1 2 290.407 1.628 20 70 CDIDLO CCc1nnc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)[nH]1 ZINC000159601597 361748537 /nfs/dbraw/zinc/74/85/37/361748537.db2.gz MQVGJUOUKRRVJT-VXGBXAGGSA-N 1 2 296.440 1.854 20 70 CDIDLO CCc1nnc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)[nH]1 ZINC000159601597 361748544 /nfs/dbraw/zinc/74/85/44/361748544.db2.gz MQVGJUOUKRRVJT-VXGBXAGGSA-N 1 2 296.440 1.854 20 70 CDIDLO Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159859088 361884457 /nfs/dbraw/zinc/88/44/57/361884457.db2.gz QUMFBUVUKMSJOV-CABCVRRESA-N 1 2 299.374 1.604 20 70 CDIDLO CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000159598269 539114420 /nfs/dbraw/zinc/11/44/20/539114420.db2.gz FYKBASGKKJSUCW-UHFFFAOYSA-N 1 2 294.380 1.741 20 70 CDIDLO CC[C@@H](C)c1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)on1 ZINC000160214940 362057849 /nfs/dbraw/zinc/05/78/49/362057849.db2.gz VQVXCZMQOOSYHB-VXGBXAGGSA-N 1 2 295.383 1.639 20 70 CDIDLO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c[nH+]c2ccccn12 ZINC000160509155 237178138 /nfs/dbraw/zinc/17/81/38/237178138.db2.gz MFSXYIQHGUNADA-VXGBXAGGSA-N 1 2 293.392 1.342 20 70 CDIDLO C[C@H]1CC(=O)N(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160564571 364020002 /nfs/dbraw/zinc/02/00/02/364020002.db2.gz URXMGDUSIXZROJ-LBPRGKRZSA-N 1 2 299.415 1.611 20 70 CDIDLO C[C@H]1CC(=O)N(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160564571 364020005 /nfs/dbraw/zinc/02/00/05/364020005.db2.gz URXMGDUSIXZROJ-LBPRGKRZSA-N 1 2 299.415 1.611 20 70 CDIDLO CCc1nnc(CN2CC[NH+](Cc3cccnc3)CC2)[nH]1 ZINC000159590591 364237878 /nfs/dbraw/zinc/23/78/78/364237878.db2.gz VFEQMQJMCHMLBF-UHFFFAOYSA-N 1 2 286.383 1.080 20 70 CDIDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160837114 377120476 /nfs/dbraw/zinc/12/04/76/377120476.db2.gz HZUGDHSNFYIFEE-CYBMUJFWSA-N 1 2 299.378 1.193 20 70 CDIDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000160837114 377120482 /nfs/dbraw/zinc/12/04/82/377120482.db2.gz HZUGDHSNFYIFEE-CYBMUJFWSA-N 1 2 299.378 1.193 20 70 CDIDLO Cc1nc(C[C@H]2CCC[N@@H+](Cc3nccn3C)C2)no1 ZINC000161048299 377150686 /nfs/dbraw/zinc/15/06/86/377150686.db2.gz CSHCTCZEXBFHEZ-GFCCVEGCSA-N 1 2 275.356 1.566 20 70 CDIDLO Cc1nc(C[C@H]2CCC[N@H+](Cc3nccn3C)C2)no1 ZINC000161048299 377150690 /nfs/dbraw/zinc/15/06/90/377150690.db2.gz CSHCTCZEXBFHEZ-GFCCVEGCSA-N 1 2 275.356 1.566 20 70 CDIDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccncc1 ZINC000217319526 140163416 /nfs/dbraw/zinc/16/34/16/140163416.db2.gz VIWHJLSWPXLZBK-NSHDSACASA-N 1 2 257.341 1.860 20 70 CDIDLO CC[C@@H](NC(=O)c1cnn2ccccc12)c1[nH]cc[nH+]1 ZINC000218084670 140164487 /nfs/dbraw/zinc/16/44/87/140164487.db2.gz VHOGZPYCIDKGCI-LLVKDONJSA-N 1 2 269.308 1.939 20 70 CDIDLO CC1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000159813670 278317870 /nfs/dbraw/zinc/31/78/70/278317870.db2.gz BMEZQYHHERFWLT-NSHDSACASA-N 1 2 263.341 1.083 20 70 CDIDLO COC(=O)[C@H](SCC[NH+]1CCOCC1)c1ccccc1 ZINC000159938833 292774301 /nfs/dbraw/zinc/77/43/01/292774301.db2.gz HOLLDTNBYNJUKM-CQSZACIVSA-N 1 2 295.404 1.966 20 70 CDIDLO Cc1c[nH+]ccc1NC(=O)c1cnc2c(c1)ncn2C ZINC000160426130 526241564 /nfs/dbraw/zinc/24/15/64/526241564.db2.gz DXOKKKQZQQMROM-UHFFFAOYSA-N 1 2 267.292 1.924 20 70 CDIDLO CCn1cc[nH+]c1CN1CCN(CC(F)F)CC1 ZINC000160877812 362528437 /nfs/dbraw/zinc/52/84/37/362528437.db2.gz FHFFBFDUNHIFRE-UHFFFAOYSA-N 1 2 258.316 1.286 20 70 CDIDLO CC(C)(C)CCNC(=O)CSCC[NH+]1CCOCC1 ZINC000159991475 363558153 /nfs/dbraw/zinc/55/81/53/363558153.db2.gz PPJDTCCCVTXEGH-UHFFFAOYSA-N 1 2 288.457 1.604 20 70 CDIDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1CCC(C)(C)CC1 ZINC000160096302 363666636 /nfs/dbraw/zinc/66/66/36/363666636.db2.gz ZCZDFSMOMXEKJU-AWEZNQCLSA-N 1 2 295.471 1.955 20 70 CDIDLO Cn1c(SCCn2cc[nH+]c2)nnc1-c1ccncc1 ZINC000159506668 360439059 /nfs/dbraw/zinc/43/90/59/360439059.db2.gz QMYPHWKHEAMTOU-UHFFFAOYSA-N 1 2 286.364 1.866 20 70 CDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)OC)CC2)n1 ZINC000160499826 364363548 /nfs/dbraw/zinc/36/35/48/364363548.db2.gz PADXBOFHVOEGJI-UHFFFAOYSA-N 1 2 279.340 1.130 20 70 CDIDLO C[C@H](CNC(=O)[C@H]1OCCc2ccccc21)Cn1cc[nH+]c1 ZINC000160605415 364380588 /nfs/dbraw/zinc/38/05/88/364380588.db2.gz LVPWFRATWCOTGV-CJNGLKHVSA-N 1 2 299.374 1.949 20 70 CDIDLO CC(C)c1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cn1 ZINC000161199422 364462419 /nfs/dbraw/zinc/46/24/19/364462419.db2.gz BFKBEDIRASMKDZ-ZDUSSCGKSA-N 1 2 291.395 1.656 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)s1 ZINC000216735163 140162971 /nfs/dbraw/zinc/16/29/71/140162971.db2.gz JKMQCYTYHJLCTP-SECBINFHSA-N 1 2 274.411 1.381 20 70 CDIDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)s1 ZINC000216735163 140162970 /nfs/dbraw/zinc/16/29/70/140162970.db2.gz JKMQCYTYHJLCTP-SECBINFHSA-N 1 2 274.411 1.381 20 70 CDIDLO CCCC[N@H+](Cc1ccnn1CC)[C@H]1CCS(=O)(=O)C1 ZINC000160772627 362171424 /nfs/dbraw/zinc/17/14/24/362171424.db2.gz YSBSKOIKLPUUFL-AWEZNQCLSA-N 1 2 299.440 1.692 20 70 CDIDLO CCCC[N@@H+](Cc1ccnn1CC)[C@H]1CCS(=O)(=O)C1 ZINC000160772627 362171428 /nfs/dbraw/zinc/17/14/28/362171428.db2.gz YSBSKOIKLPUUFL-AWEZNQCLSA-N 1 2 299.440 1.692 20 70 CDIDLO CN(CCC(F)(F)F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160425269 529874270 /nfs/dbraw/zinc/87/42/70/529874270.db2.gz QJXFPJKRHAVNBN-SECBINFHSA-N 1 2 275.274 1.856 20 70 CDIDLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161193675 362538300 /nfs/dbraw/zinc/53/83/00/362538300.db2.gz RKYHYJOMBXAXAM-UHFFFAOYSA-N 1 2 292.379 1.789 20 70 CDIDLO O=C1[C@H]([N@@H+]2CCC[C@@H](O)C2)CCN1c1ccccc1F ZINC000217161039 358983564 /nfs/dbraw/zinc/98/35/64/358983564.db2.gz KUUOHVURZLDVDN-BXUZGUMPSA-N 1 2 278.327 1.388 20 70 CDIDLO O=C1[C@H]([N@H+]2CCC[C@@H](O)C2)CCN1c1ccccc1F ZINC000217161039 358983568 /nfs/dbraw/zinc/98/35/68/358983568.db2.gz KUUOHVURZLDVDN-BXUZGUMPSA-N 1 2 278.327 1.388 20 70 CDIDLO CC(C)(C)c1nsc(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000160047766 360436582 /nfs/dbraw/zinc/43/65/82/360436582.db2.gz BMDBITWLIPLVKZ-SNVBAGLBSA-N 1 2 281.429 1.247 20 70 CDIDLO Cc1ccccc1OCC[N@@H+](C)Cc1nncn1C ZINC000160721510 360838105 /nfs/dbraw/zinc/83/81/05/360838105.db2.gz BTRDXXLQBKNLII-UHFFFAOYSA-N 1 2 260.341 1.634 20 70 CDIDLO Cc1ccccc1OCC[N@H+](C)Cc1nncn1C ZINC000160721510 360838107 /nfs/dbraw/zinc/83/81/07/360838107.db2.gz BTRDXXLQBKNLII-UHFFFAOYSA-N 1 2 260.341 1.634 20 70 CDIDLO CNC(=O)C(C)(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000161104399 364447659 /nfs/dbraw/zinc/44/76/59/364447659.db2.gz UJVHGINVUKNBSG-UHFFFAOYSA-N 1 2 291.399 1.651 20 70 CDIDLO CNC(=O)C(C)(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000161104399 364447664 /nfs/dbraw/zinc/44/76/64/364447664.db2.gz UJVHGINVUKNBSG-UHFFFAOYSA-N 1 2 291.399 1.651 20 70 CDIDLO COC(=O)c1occc1CSCC[NH+]1CCOCC1 ZINC000159833069 292040411 /nfs/dbraw/zinc/04/04/11/292040411.db2.gz CMBVVPXQBFNFAG-UHFFFAOYSA-N 1 2 285.365 1.632 20 70 CDIDLO Cc1ccc(C(=O)CC[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000159700882 147699640 /nfs/dbraw/zinc/69/96/40/147699640.db2.gz PAQGDEXTWRZASB-UHFFFAOYSA-N 1 2 274.364 1.778 20 70 CDIDLO Cc1ccc(C(=O)CC[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000159700882 147699644 /nfs/dbraw/zinc/69/96/44/147699644.db2.gz PAQGDEXTWRZASB-UHFFFAOYSA-N 1 2 274.364 1.778 20 70 CDIDLO O=C(NC[C@@H]1CC=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160750149 526501742 /nfs/dbraw/zinc/50/17/42/526501742.db2.gz VSQBXLUCPSJRHO-OLZOCXBDSA-N 1 2 259.353 1.918 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000160370749 342482912 /nfs/dbraw/zinc/48/29/12/342482912.db2.gz JHQWGXNGTDQPOA-NSHDSACASA-N 1 2 256.708 1.929 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000160370749 342482913 /nfs/dbraw/zinc/48/29/13/342482913.db2.gz JHQWGXNGTDQPOA-NSHDSACASA-N 1 2 256.708 1.929 20 70 CDIDLO O=C(NCCC1CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160442561 539115855 /nfs/dbraw/zinc/11/58/55/539115855.db2.gz DYGZFOHIIOGNMY-UHFFFAOYSA-N 1 2 288.395 1.709 20 70 CDIDLO CCCCCNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000160018358 363587036 /nfs/dbraw/zinc/58/70/36/363587036.db2.gz PUIRNTKTGBKDDO-CYBMUJFWSA-N 1 2 288.457 1.747 20 70 CDIDLO CC[C@H]1C(=O)NCCN1Cc1c[nH+]c2ccccn12 ZINC000160541059 363980292 /nfs/dbraw/zinc/98/02/92/363980292.db2.gz QBJVVIMBKVOGFW-LBPRGKRZSA-N 1 2 258.325 1.045 20 70 CDIDLO CN(Cc1ccco1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159794522 364266996 /nfs/dbraw/zinc/26/69/96/364266996.db2.gz NPYFSUHEVVMYAF-UHFFFAOYSA-N 1 2 298.408 1.303 20 70 CDIDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000159842752 364273587 /nfs/dbraw/zinc/27/35/87/364273587.db2.gz SRWPOBQOKUNXOO-TVQRCGJNSA-N 1 2 276.315 1.436 20 70 CDIDLO COCC[N@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)C(N)=O ZINC000159508423 364224179 /nfs/dbraw/zinc/22/41/79/364224179.db2.gz VLXRVXAAAHVINL-CYBMUJFWSA-N 1 2 292.379 1.390 20 70 CDIDLO COCC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)C(N)=O ZINC000159508423 364224183 /nfs/dbraw/zinc/22/41/83/364224183.db2.gz VLXRVXAAAHVINL-CYBMUJFWSA-N 1 2 292.379 1.390 20 70 CDIDLO O=C([C@@H]1CCCCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161144707 364453115 /nfs/dbraw/zinc/45/31/15/364453115.db2.gz ZIHMFIOPZLMCQF-HNNXBMFYSA-N 1 2 289.379 1.295 20 70 CDIDLO CN(C(=O)NCCn1cc[nH+]c1)C1CCC(CO)CC1 ZINC000160877250 364422650 /nfs/dbraw/zinc/42/26/50/364422650.db2.gz YSRVHZFPUWBDFX-UHFFFAOYSA-N 1 2 280.372 1.076 20 70 CDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(O)cc1O ZINC000161376298 364486023 /nfs/dbraw/zinc/48/60/23/364486023.db2.gz IOTOSRXJMJPVBI-LLVKDONJSA-N 1 2 299.330 1.502 20 70 CDIDLO CCOc1ccccc1C[NH2+]Cc1nncn1CC ZINC000218227423 367261518 /nfs/dbraw/zinc/26/15/18/367261518.db2.gz QPXBGABFQXALPA-UHFFFAOYSA-N 1 2 260.341 1.987 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1cc(C)ccc1OC ZINC000218221455 140164867 /nfs/dbraw/zinc/16/48/67/140164867.db2.gz PPQYNRJUARKALT-UHFFFAOYSA-N 1 2 260.341 1.905 20 70 CDIDLO CCn1cc[nH+]c1CN1CCN(c2cnccn2)CC1 ZINC000160766818 147723452 /nfs/dbraw/zinc/72/34/52/147723452.db2.gz ZJIBXKRKUICJMW-UHFFFAOYSA-N 1 2 272.356 1.015 20 70 CDIDLO CC[C@@H](C)CS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000160984911 535527649 /nfs/dbraw/zinc/52/76/49/535527649.db2.gz QPNNWHZIAGXMEP-SNVBAGLBSA-N 1 2 270.354 1.656 20 70 CDIDLO O=C(Cc1cn2ccccc2[nH+]1)NCC1(CO)CCCC1 ZINC000160302652 362410251 /nfs/dbraw/zinc/41/02/51/362410251.db2.gz GFWVZDHEZUNTIF-UHFFFAOYSA-N 1 2 287.363 1.546 20 70 CDIDLO CCC[C@@](C)(CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000159556527 361728809 /nfs/dbraw/zinc/72/88/09/361728809.db2.gz DLHBTJLPDVGJBN-HNNXBMFYSA-N 1 2 275.352 1.544 20 70 CDIDLO CCOC(=O)CC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000160537979 363978467 /nfs/dbraw/zinc/97/84/67/363978467.db2.gz ZDIRFVPWIOCCEA-UHFFFAOYSA-N 1 2 286.372 1.350 20 70 CDIDLO Cc1n[nH]c(C)c1NC(=O)CSCC[NH+]1CCOCC1 ZINC000159967422 364287524 /nfs/dbraw/zinc/28/75/24/364287524.db2.gz BGRHENUUMPBRSN-UHFFFAOYSA-N 1 2 298.412 1.030 20 70 CDIDLO O=C([C@H]1CCCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161113696 364449328 /nfs/dbraw/zinc/44/93/28/364449328.db2.gz IYMWLUQVYMJQFP-OAHLLOKOSA-N 1 2 289.379 1.295 20 70 CDIDLO Cc1cccc([C@@H](C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000159908971 361928930 /nfs/dbraw/zinc/92/89/30/361928930.db2.gz MSGVBORDPSWGBP-LSDHHAIUSA-N 1 2 290.407 1.935 20 70 CDIDLO C[NH2+][C@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000160471271 364357499 /nfs/dbraw/zinc/35/74/99/364357499.db2.gz SWQWKIBHNKPHST-NSHDSACASA-N 1 2 286.335 1.012 20 70 CDIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000161176695 364459241 /nfs/dbraw/zinc/45/92/41/364459241.db2.gz YCVXRALJZGURIK-QWHCGFSZSA-N 1 2 294.420 1.297 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000218222206 367261177 /nfs/dbraw/zinc/26/11/77/367261177.db2.gz OELFODRUFVGBRD-UHFFFAOYSA-N 1 2 290.323 1.325 20 70 CDIDLO COc1cc[nH+]c(CN2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000161101754 377156376 /nfs/dbraw/zinc/15/63/76/377156376.db2.gz PCDBBJGKGDSICI-CYBMUJFWSA-N 1 2 290.323 1.355 20 70 CDIDLO COC(=O)[C@@H]1CCCCN1Cc1[nH+]ccn1C(C)C ZINC000160728729 391569322 /nfs/dbraw/zinc/56/93/22/391569322.db2.gz HXTDSSJWNWMCIK-LBPRGKRZSA-N 1 2 265.357 1.992 20 70 CDIDLO CCCC[N@H+](Cc1ccnn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160772484 362170718 /nfs/dbraw/zinc/17/07/18/362170718.db2.gz YSBSKOIKLPUUFL-CQSZACIVSA-N 1 2 299.440 1.692 20 70 CDIDLO CCCC[N@@H+](Cc1ccnn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160772484 362170719 /nfs/dbraw/zinc/17/07/19/362170719.db2.gz YSBSKOIKLPUUFL-CQSZACIVSA-N 1 2 299.440 1.692 20 70 CDIDLO COc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1OC(C)C ZINC000160351042 363821022 /nfs/dbraw/zinc/82/10/22/363821022.db2.gz VOJBRPOTFGEMLZ-CYBMUJFWSA-N 1 2 292.379 1.932 20 70 CDIDLO COc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1OC(C)C ZINC000160351042 363821027 /nfs/dbraw/zinc/82/10/27/363821027.db2.gz VOJBRPOTFGEMLZ-CYBMUJFWSA-N 1 2 292.379 1.932 20 70 CDIDLO O=C(NC[C@@H]1CCCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160482828 363932558 /nfs/dbraw/zinc/93/25/58/363932558.db2.gz OMVOSNUYBYQNOP-NEPJUHHUSA-N 1 2 263.341 1.131 20 70 CDIDLO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@H]1CSC[NH2+]1 ZINC000159601344 364240536 /nfs/dbraw/zinc/24/05/36/364240536.db2.gz OHMMWLRDOMKQHN-GFCCVEGCSA-N 1 2 276.361 1.807 20 70 CDIDLO CCC[N@H+](CC(=O)N(C)C)Cc1nc(CC)cc(=O)[nH]1 ZINC000160964922 364434248 /nfs/dbraw/zinc/43/42/48/364434248.db2.gz ZCGCCFDGHNGWQS-UHFFFAOYSA-N 1 2 280.372 1.045 20 70 CDIDLO CCC[N@@H+](CC(=O)N(C)C)Cc1nc(CC)cc(=O)[nH]1 ZINC000160964922 364434253 /nfs/dbraw/zinc/43/42/53/364434253.db2.gz ZCGCCFDGHNGWQS-UHFFFAOYSA-N 1 2 280.372 1.045 20 70 CDIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@H]2CCCCO2)n1 ZINC000160978830 364435686 /nfs/dbraw/zinc/43/56/86/364435686.db2.gz MJUXZMUMHVIVHW-GFCCVEGCSA-N 1 2 265.357 1.746 20 70 CDIDLO COC(=O)CCN(C[C@@H]1CCCO1)c1cc[nH+]c(C)n1 ZINC000161238174 377502992 /nfs/dbraw/zinc/50/29/92/377502992.db2.gz VBJSLHLXQSPZRZ-LBPRGKRZSA-N 1 2 279.340 1.334 20 70 CDIDLO CC(=O)N(C)C1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000160856539 391573892 /nfs/dbraw/zinc/57/38/92/391573892.db2.gz RVSAOXSKMUJAJH-UHFFFAOYSA-N 1 2 278.400 1.907 20 70 CDIDLO CCCCc1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159865879 292772062 /nfs/dbraw/zinc/77/20/62/292772062.db2.gz GVMPRZPBRJACAH-UHFFFAOYSA-N 1 2 285.413 1.978 20 70 CDIDLO CCN(C(C)=O)c1nc(C[NH+]2CCC(C)(O)CC2)cs1 ZINC000161213907 520132869 /nfs/dbraw/zinc/13/28/69/520132869.db2.gz LRXGSMXQIOPSBS-UHFFFAOYSA-N 1 2 297.424 1.863 20 70 CDIDLO CCCCSCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000159906574 361927280 /nfs/dbraw/zinc/92/72/80/361927280.db2.gz ZTBWJIDJGNJBKY-CYBMUJFWSA-N 1 2 288.457 1.747 20 70 CDIDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ncn1 ZINC000161400450 539117640 /nfs/dbraw/zinc/11/76/40/539117640.db2.gz STTRACUNFQTRJV-MRXNPFEDSA-N 1 2 296.374 1.914 20 70 CDIDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ncn1 ZINC000161400450 539117641 /nfs/dbraw/zinc/11/76/41/539117641.db2.gz STTRACUNFQTRJV-MRXNPFEDSA-N 1 2 296.374 1.914 20 70 CDIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000160273792 362406988 /nfs/dbraw/zinc/40/69/88/362406988.db2.gz OYELWJHTIVFZNE-SNVBAGLBSA-N 1 2 288.351 1.989 20 70 CDIDLO CCC(C)(C)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159865464 363386441 /nfs/dbraw/zinc/38/64/41/363386441.db2.gz VOJFFEBTONYKEK-GFCCVEGCSA-N 1 2 288.457 1.745 20 70 CDIDLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c[nH+]c2ccccn12 ZINC000160508903 237177558 /nfs/dbraw/zinc/17/75/58/237177558.db2.gz MFSXYIQHGUNADA-NEPJUHHUSA-N 1 2 293.392 1.342 20 70 CDIDLO CC[C@H]1C(=O)NCCN1Cc1c(C)[nH+]c2ccccn21 ZINC000160541495 363982187 /nfs/dbraw/zinc/98/21/87/363982187.db2.gz SKUVLQKBAWMEJO-LBPRGKRZSA-N 1 2 272.352 1.353 20 70 CDIDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000160541495 363982191 /nfs/dbraw/zinc/98/21/91/363982191.db2.gz SKUVLQKBAWMEJO-LBPRGKRZSA-N 1 2 272.352 1.353 20 70 CDIDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000160541495 363982194 /nfs/dbraw/zinc/98/21/94/363982194.db2.gz SKUVLQKBAWMEJO-LBPRGKRZSA-N 1 2 272.352 1.353 20 70 CDIDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159571413 364236637 /nfs/dbraw/zinc/23/66/37/364236637.db2.gz KMBPMVDYBSHEOB-MNOVXSKESA-N 1 2 278.352 1.529 20 70 CDIDLO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159571413 364236638 /nfs/dbraw/zinc/23/66/38/364236638.db2.gz KMBPMVDYBSHEOB-MNOVXSKESA-N 1 2 278.352 1.529 20 70 CDIDLO O=C(c1cccc(NCc2[nH]cc[nH+]2)c1)N1CCOCC1 ZINC000160155714 364312753 /nfs/dbraw/zinc/31/27/53/364312753.db2.gz IFYIMSXGUAMAEG-UHFFFAOYSA-N 1 2 286.335 1.494 20 70 CDIDLO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCCCO1 ZINC000160688017 364393817 /nfs/dbraw/zinc/39/38/17/364393817.db2.gz AZYFECABKZVSBH-ZDUSSCGKSA-N 1 2 273.336 1.562 20 70 CDIDLO Cc1ccoc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161020165 364438203 /nfs/dbraw/zinc/43/82/03/364438203.db2.gz LQQWWHOUTMKDMW-CYBMUJFWSA-N 1 2 278.352 1.411 20 70 CDIDLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCCO1 ZINC000160879222 364422588 /nfs/dbraw/zinc/42/25/88/364422588.db2.gz RZJMJMAFTRDGRL-GFCCVEGCSA-N 1 2 272.308 1.775 20 70 CDIDLO CCn1cnnc1C[NH2+]Cc1cccc(OC)c1OC ZINC000218231185 368788510 /nfs/dbraw/zinc/78/85/10/368788510.db2.gz RUSSTVHGXOPSCV-UHFFFAOYSA-N 1 2 276.340 1.605 20 70 CDIDLO CCC(=O)c1cccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000160737897 377096113 /nfs/dbraw/zinc/09/61/13/377096113.db2.gz PTNXDLUCNZJURY-AWEZNQCLSA-N 1 2 276.336 1.548 20 70 CDIDLO CCC(=O)c1cccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000160737897 377096121 /nfs/dbraw/zinc/09/61/21/377096121.db2.gz PTNXDLUCNZJURY-AWEZNQCLSA-N 1 2 276.336 1.548 20 70 CDIDLO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)OC)C1 ZINC000161417985 377226419 /nfs/dbraw/zinc/22/64/19/377226419.db2.gz KCFGSENTLMREAQ-WDEREUQCSA-N 1 2 266.345 1.039 20 70 CDIDLO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)OC)C1 ZINC000161417985 377226428 /nfs/dbraw/zinc/22/64/28/377226428.db2.gz KCFGSENTLMREAQ-WDEREUQCSA-N 1 2 266.345 1.039 20 70 CDIDLO CC[C@](C)([NH2+]Cc1noc(-c2ccsc2)n1)C(N)=O ZINC000161109634 523491573 /nfs/dbraw/zinc/49/15/73/523491573.db2.gz ZAIASVRCUBSWLO-LBPRGKRZSA-N 1 2 280.353 1.542 20 70 CDIDLO CCCCn1ncc(C(=O)NCC[NH+]2CCOCC2)c1C ZINC000161141789 529093992 /nfs/dbraw/zinc/09/39/92/529093992.db2.gz GFDAQMGZEDILQF-UHFFFAOYSA-N 1 2 294.399 1.054 20 70 CDIDLO O=C(Nc1ccc2c(c1)C(=O)NC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000161004162 342380938 /nfs/dbraw/zinc/38/09/38/342380938.db2.gz PSIDEFAYITVVKY-JTQLQIEISA-N 1 2 296.330 1.328 20 70 CDIDLO COc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1OC(C)C ZINC000160351190 363820829 /nfs/dbraw/zinc/82/08/29/363820829.db2.gz VOJBRPOTFGEMLZ-ZDUSSCGKSA-N 1 2 292.379 1.932 20 70 CDIDLO COc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1OC(C)C ZINC000160351190 363820836 /nfs/dbraw/zinc/82/08/36/363820836.db2.gz VOJBRPOTFGEMLZ-ZDUSSCGKSA-N 1 2 292.379 1.932 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000160375328 363837015 /nfs/dbraw/zinc/83/70/15/363837015.db2.gz FWTRYPYXADSPDS-AWEZNQCLSA-N 1 2 270.336 1.526 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000160375328 363837020 /nfs/dbraw/zinc/83/70/20/363837020.db2.gz FWTRYPYXADSPDS-AWEZNQCLSA-N 1 2 270.336 1.526 20 70 CDIDLO C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC(C)(C)O1 ZINC000160622259 296900847 /nfs/dbraw/zinc/90/08/47/296900847.db2.gz OVSJVCRDXSMPJB-NEPJUHHUSA-N 1 2 277.368 1.471 20 70 CDIDLO COC(=O)C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000160971395 523301166 /nfs/dbraw/zinc/30/11/66/523301166.db2.gz BSPNYDBMHHJBDE-CYBMUJFWSA-N 1 2 289.335 1.098 20 70 CDIDLO Cc1c([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cnn1C ZINC000159791052 364265449 /nfs/dbraw/zinc/26/54/49/364265449.db2.gz ZBDQMKNODGOWLZ-OTYXRUKQSA-N 1 2 290.342 1.745 20 70 CDIDLO C[C@@]1(O)CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000160434639 364352781 /nfs/dbraw/zinc/35/27/81/364352781.db2.gz OOBJIOKGWFJYGV-OAHLLOKOSA-N 1 2 292.383 1.440 20 70 CDIDLO CCCC[N@H+](Cc1cncs1)[C@@H]1CCS(=O)(=O)C1 ZINC000160760021 364406714 /nfs/dbraw/zinc/40/67/14/364406714.db2.gz OTGKVZGECAKMTP-LLVKDONJSA-N 1 2 288.438 1.932 20 70 CDIDLO CCCC[N@@H+](Cc1cncs1)[C@@H]1CCS(=O)(=O)C1 ZINC000160760021 364406719 /nfs/dbraw/zinc/40/67/19/364406719.db2.gz OTGKVZGECAKMTP-LLVKDONJSA-N 1 2 288.438 1.932 20 70 CDIDLO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)no1 ZINC000161048186 377150500 /nfs/dbraw/zinc/15/05/00/377150500.db2.gz CSHCTCZEXBFHEZ-LBPRGKRZSA-N 1 2 275.356 1.566 20 70 CDIDLO Cc1nc(C[C@@H]2CCC[N@H+](Cc3nccn3C)C2)no1 ZINC000161048186 377150505 /nfs/dbraw/zinc/15/05/05/377150505.db2.gz CSHCTCZEXBFHEZ-LBPRGKRZSA-N 1 2 275.356 1.566 20 70 CDIDLO CCC[C@H](C)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159865323 292772122 /nfs/dbraw/zinc/77/21/22/292772122.db2.gz USXKIBHSHQPJBF-STQMWFEESA-N 1 2 288.457 1.745 20 70 CDIDLO CC[C@@H](C)CS(=O)(=O)N(CCOC)c1cc[nH+]cc1 ZINC000161078217 292799914 /nfs/dbraw/zinc/79/99/14/292799914.db2.gz CNPIRCOVHKOPAP-GFCCVEGCSA-N 1 2 286.397 1.910 20 70 CDIDLO CCCCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160841810 520779442 /nfs/dbraw/zinc/77/94/42/520779442.db2.gz XPVQUHSYBPJEPX-LBPRGKRZSA-N 1 2 265.357 1.378 20 70 CDIDLO CCc1ccc(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160592275 523908579 /nfs/dbraw/zinc/90/85/79/523908579.db2.gz ULFXKZNNJAIQOK-AWEZNQCLSA-N 1 2 290.407 1.628 20 70 CDIDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000161299813 524537535 /nfs/dbraw/zinc/53/75/35/524537535.db2.gz LLABLKPFGBXTIA-NFAWXSAZSA-N 1 2 291.395 1.626 20 70 CDIDLO Cc1nc(CC(=O)N(C)CC[NH+]2CCOCC2)c(C)s1 ZINC000161249349 526785756 /nfs/dbraw/zinc/78/57/56/526785756.db2.gz ZZJHIZYUOUEOEE-UHFFFAOYSA-N 1 2 297.424 1.093 20 70 CDIDLO CCOC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2CC)C1 ZINC000160794238 362175054 /nfs/dbraw/zinc/17/50/54/362175054.db2.gz BZXJGOGNVDVHAA-GFCCVEGCSA-N 1 2 280.372 1.614 20 70 CDIDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2nccn2CC)C1 ZINC000160794238 362175057 /nfs/dbraw/zinc/17/50/57/362175057.db2.gz BZXJGOGNVDVHAA-GFCCVEGCSA-N 1 2 280.372 1.614 20 70 CDIDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2nccn2CC)C1 ZINC000160794238 362175060 /nfs/dbraw/zinc/17/50/60/362175060.db2.gz BZXJGOGNVDVHAA-GFCCVEGCSA-N 1 2 280.372 1.614 20 70 CDIDLO CCCc1noc(CSCC[NH+]2CCOCC2)n1 ZINC000160019559 363587444 /nfs/dbraw/zinc/58/74/44/363587444.db2.gz YRCWKAZVRUEABE-UHFFFAOYSA-N 1 2 271.386 1.588 20 70 CDIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccccc1F ZINC000161164830 358789641 /nfs/dbraw/zinc/78/96/41/358789641.db2.gz DJTBTVSWNSFSCI-UHFFFAOYSA-N 1 2 268.313 1.674 20 70 CDIDLO COc1ccc(C[N@H+](Cc2nncn2C)C2CC2)cc1 ZINC000160710968 360826741 /nfs/dbraw/zinc/82/67/41/360826741.db2.gz XHHSMJZMKDIGGI-UHFFFAOYSA-N 1 2 272.352 1.988 20 70 CDIDLO COc1ccc(C[N@@H+](Cc2nncn2C)C2CC2)cc1 ZINC000160710968 360826746 /nfs/dbraw/zinc/82/67/46/360826746.db2.gz XHHSMJZMKDIGGI-UHFFFAOYSA-N 1 2 272.352 1.988 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1N1CCCC1 ZINC000160371665 363836020 /nfs/dbraw/zinc/83/60/20/363836020.db2.gz LKMIIHGNEPGCOH-HNNXBMFYSA-N 1 2 291.370 1.876 20 70 CDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1c(F)cccc1N1CCCC1 ZINC000160371665 363836022 /nfs/dbraw/zinc/83/60/22/363836022.db2.gz LKMIIHGNEPGCOH-HNNXBMFYSA-N 1 2 291.370 1.876 20 70 CDIDLO COCC(C)(C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160267515 364327937 /nfs/dbraw/zinc/32/79/37/364327937.db2.gz AQLGKHGWAFYBPH-UHFFFAOYSA-N 1 2 291.395 1.398 20 70 CDIDLO Cc1cc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)on1 ZINC000159976917 364288752 /nfs/dbraw/zinc/28/87/52/364288752.db2.gz WKRNMOUQHQGHBJ-NSHDSACASA-N 1 2 299.396 1.375 20 70 CDIDLO C[C@@](O)(CNC(=O)NCCn1cc[nH+]c1)c1cccs1 ZINC000160831591 364415935 /nfs/dbraw/zinc/41/59/35/364415935.db2.gz LVBCHXNLRHAPGK-CYBMUJFWSA-N 1 2 294.380 1.152 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1C ZINC000161247254 364468930 /nfs/dbraw/zinc/46/89/30/364468930.db2.gz UBYKKVWFJAYQAO-CYBMUJFWSA-N 1 2 265.357 1.646 20 70 CDIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cn(C)nc1C ZINC000161247254 364468937 /nfs/dbraw/zinc/46/89/37/364468937.db2.gz UBYKKVWFJAYQAO-CYBMUJFWSA-N 1 2 265.357 1.646 20 70 CDIDLO CCc1nnc(C[NH2+][C@@H](CCO)c2ccc(OC)cc2)[nH]1 ZINC000160290396 390978596 /nfs/dbraw/zinc/97/85/96/390978596.db2.gz ZMILEINILZWLRX-ZDUSSCGKSA-N 1 2 290.367 1.589 20 70 CDIDLO CCCC1(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC000160317898 292783656 /nfs/dbraw/zinc/78/36/56/292783656.db2.gz YNTAEXPROCUNPX-CQSZACIVSA-N 1 2 297.443 1.977 20 70 CDIDLO CC[C@H](C)c1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)on1 ZINC000160602478 522029999 /nfs/dbraw/zinc/02/99/99/522029999.db2.gz IAZXZLKSKAAJNM-RYUDHWBXSA-N 1 2 295.383 1.639 20 70 CDIDLO