smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](c1cc(F)ccc1F)[N@H+](C)CCOCC1CC1 ZINC000159364202 372135964 /nfs/dbraw/zinc/13/59/64/372135964.db2.gz MMUSLNBNTIUITE-LLVKDONJSA-N 1 1 269.335 3.384 20 70 CGIDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCOCC1CC1 ZINC000159364202 372135969 /nfs/dbraw/zinc/13/59/69/372135969.db2.gz MMUSLNBNTIUITE-LLVKDONJSA-N 1 1 269.335 3.384 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000159444828 372144669 /nfs/dbraw/zinc/14/46/69/372144669.db2.gz QGWXMPVVJOTSEI-HNNXBMFYSA-N 1 1 251.345 3.389 20 70 CGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000159523272 372151987 /nfs/dbraw/zinc/15/19/87/372151987.db2.gz HOYZFKSYZQXKGP-QWRGUYRKSA-N 1 1 294.782 3.369 20 70 CGIDMO c1ccc(C[N@@H+](CCOCC2CC2)C[C@H]2CCCO2)cc1 ZINC000159548804 372154258 /nfs/dbraw/zinc/15/42/58/372154258.db2.gz TVSOHIQESYALCP-GOSISDBHSA-N 1 1 289.419 3.094 20 70 CGIDMO CC[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160111037 372213843 /nfs/dbraw/zinc/21/38/43/372213843.db2.gz LUAXXWBHRJLASZ-AWEZNQCLSA-N 1 1 280.456 3.003 20 70 CGIDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000160220005 372226175 /nfs/dbraw/zinc/22/61/75/372226175.db2.gz VYHUDTZGMQJHGM-INIZCTEOSA-N 1 1 280.456 3.195 20 70 CGIDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCOCC1CC1 ZINC000159811040 372182871 /nfs/dbraw/zinc/18/28/71/372182871.db2.gz BWCBGUFPYQWXHA-KRWDZBQOSA-N 1 1 289.419 3.129 20 70 CGIDMO C[C@H](SCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000159943683 372195943 /nfs/dbraw/zinc/19/59/43/372195943.db2.gz MLBGODKWJJGJJN-NSHDSACASA-N 1 1 287.375 3.091 20 70 CGIDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000161002899 372294186 /nfs/dbraw/zinc/29/41/86/372294186.db2.gz VXGODTAGULUNAT-ZMSDIMECSA-N 1 1 276.399 3.275 20 70 CGIDMO COCC[N@@H+](Cc1ccccc1)Cc1cccnc1C ZINC000160452028 372247214 /nfs/dbraw/zinc/24/72/14/372247214.db2.gz IWTARTLGCSWFDL-UHFFFAOYSA-N 1 1 270.376 3.039 20 70 CGIDMO CCn1nc(C)c(C[N@H+](C)Cc2cccc(F)c2)c1C ZINC000160462258 372249513 /nfs/dbraw/zinc/24/95/13/372249513.db2.gz PRUVPFPZESOUSH-UHFFFAOYSA-N 1 1 275.371 3.291 20 70 CGIDMO CCn1nc(C)c(C[N@@H+](C)Cc2cccc(F)c2)c1C ZINC000160462258 372249516 /nfs/dbraw/zinc/24/95/16/372249516.db2.gz PRUVPFPZESOUSH-UHFFFAOYSA-N 1 1 275.371 3.291 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000160584752 372259558 /nfs/dbraw/zinc/25/95/58/372259558.db2.gz PQOBGWPTMUUGMZ-KGLIPLIRSA-N 1 1 292.423 3.390 20 70 CGIDMO COc1ccc(C[N@H+](C)Cc2ccc(C)o2)c(OC)c1 ZINC000160830878 372279353 /nfs/dbraw/zinc/27/93/53/372279353.db2.gz DBDOYWYDGRSGQI-UHFFFAOYSA-N 1 1 275.348 3.237 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)c(OC)c1 ZINC000160830878 372279357 /nfs/dbraw/zinc/27/93/57/372279357.db2.gz DBDOYWYDGRSGQI-UHFFFAOYSA-N 1 1 275.348 3.237 20 70 CGIDMO Fc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000160892171 372285601 /nfs/dbraw/zinc/28/56/01/372285601.db2.gz FFVZMEULRWDXRV-LLVKDONJSA-N 1 1 282.790 3.053 20 70 CGIDMO Fc1cc(Cl)cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160892171 372285610 /nfs/dbraw/zinc/28/56/10/372285610.db2.gz FFVZMEULRWDXRV-LLVKDONJSA-N 1 1 282.790 3.053 20 70 CGIDMO Fc1cc(Cl)cc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000160892171 372285618 /nfs/dbraw/zinc/28/56/18/372285618.db2.gz FFVZMEULRWDXRV-LLVKDONJSA-N 1 1 282.790 3.053 20 70 CGIDMO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(F)cc1 ZINC000161148310 372306418 /nfs/dbraw/zinc/30/64/18/372306418.db2.gz SGTXTOWTAKZCKL-UHFFFAOYSA-N 1 1 275.371 3.478 20 70 CGIDMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(F)cc1 ZINC000161148310 372306422 /nfs/dbraw/zinc/30/64/22/372306422.db2.gz SGTXTOWTAKZCKL-UHFFFAOYSA-N 1 1 275.371 3.478 20 70 CGIDMO CC[C@@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c1nccs1 ZINC000161175412 372307543 /nfs/dbraw/zinc/30/75/43/372307543.db2.gz MTTIKCFJBTYCNZ-CHWSQXEVSA-N 1 1 297.468 3.218 20 70 CGIDMO CC[C@@H](C)[N@H+](C)CCNCc1ccc2ncccc2c1 ZINC000217376727 376173014 /nfs/dbraw/zinc/17/30/14/376173014.db2.gz WMCWAHAGPSKFRC-CQSZACIVSA-N 1 1 271.408 3.055 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc2ncccc2c1 ZINC000217376727 376173016 /nfs/dbraw/zinc/17/30/16/376173016.db2.gz WMCWAHAGPSKFRC-CQSZACIVSA-N 1 1 271.408 3.055 20 70 CGIDMO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687809 376178925 /nfs/dbraw/zinc/17/89/25/376178925.db2.gz AJIFWQUCXMDEPG-BBWFWOEESA-N 1 1 258.409 3.354 20 70 CGIDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687809 376178929 /nfs/dbraw/zinc/17/89/29/376178929.db2.gz AJIFWQUCXMDEPG-BBWFWOEESA-N 1 1 258.409 3.354 20 70 CGIDMO CC[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OC ZINC000159489007 249047304 /nfs/dbraw/zinc/04/73/04/249047304.db2.gz WQXKKLCCAYSTBF-GPANFISMSA-N 1 1 275.392 3.254 20 70 CGIDMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000217570986 572394637 /nfs/dbraw/zinc/39/46/37/572394637.db2.gz QNMAUCALANQMAP-TWMKSMIVSA-N 1 1 266.473 3.379 20 70 CGIDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCn1ccnc1 ZINC000159763130 392580319 /nfs/dbraw/zinc/58/03/19/392580319.db2.gz AGQJQPDKWKTKJL-GFCCVEGCSA-N 1 1 263.772 3.230 20 70 CGIDMO C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CCCCCC1 ZINC000218770609 270085500 /nfs/dbraw/zinc/08/55/00/270085500.db2.gz SXRKMLLXHLWLBV-KRWDZBQOSA-N 1 1 261.409 3.245 20 70 CGIDMO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1cncc(F)c1 ZINC000160412482 278260318 /nfs/dbraw/zinc/26/03/18/278260318.db2.gz IHODBVOJARANFT-GUYCJALGSA-N 1 1 293.430 3.382 20 70 CGIDMO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H](C)C(C)C ZINC000160901761 279004010 /nfs/dbraw/zinc/00/40/10/279004010.db2.gz DBUKXXIQKBQLMS-GJZGRUSLSA-N 1 1 295.471 3.079 20 70 CGIDMO Cc1[nH+]c2c(n1CC(=O)c1ccc(C)cc1)CCCC2 ZINC000216887756 329307534 /nfs/dbraw/zinc/30/75/34/329307534.db2.gz UIEGEMIXLNCTKY-UHFFFAOYSA-N 1 1 268.360 3.262 20 70 CGIDMO CCSc1ccc([C@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1 ZINC000160410390 521750557 /nfs/dbraw/zinc/75/05/57/521750557.db2.gz MZKRKZXTKPWAEC-NSHDSACASA-N 1 1 290.436 3.330 20 70 CGIDMO FC(F)(F)CC[N@H+](Cc1cnc2ccccn12)CC1CC1 ZINC000161440534 527664739 /nfs/dbraw/zinc/66/47/39/527664739.db2.gz GFUHSQNYGUVITQ-UHFFFAOYSA-N 1 1 297.324 3.499 20 70 CGIDMO CC(C)C[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000161348099 528389287 /nfs/dbraw/zinc/38/92/87/528389287.db2.gz NOGBAABWYMGNAD-INIZCTEOSA-N 1 1 252.446 3.230 20 70 CGIDMO CC(C)C[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000161348099 528389290 /nfs/dbraw/zinc/38/92/90/528389290.db2.gz NOGBAABWYMGNAD-INIZCTEOSA-N 1 1 252.446 3.230 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000160079464 529344377 /nfs/dbraw/zinc/34/43/77/529344377.db2.gz QFODEDXSFKEGQS-NEPJUHHUSA-N 1 1 270.367 3.346 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCc2cc(F)ccc21 ZINC000160060229 529690350 /nfs/dbraw/zinc/69/03/50/529690350.db2.gz RFHPJYWLPZOFDA-BLLLJJGKSA-N 1 1 264.388 3.133 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000160060229 529690351 /nfs/dbraw/zinc/69/03/51/529690351.db2.gz RFHPJYWLPZOFDA-BLLLJJGKSA-N 1 1 264.388 3.133 20 70 CGIDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1ccccn1 ZINC000159386385 372137410 /nfs/dbraw/zinc/13/74/10/372137410.db2.gz RRLSQQLNNBHOSO-UHFFFAOYSA-N 1 1 283.419 3.082 20 70 CGIDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccccn1 ZINC000159386385 372137415 /nfs/dbraw/zinc/13/74/15/372137415.db2.gz RRLSQQLNNBHOSO-UHFFFAOYSA-N 1 1 283.419 3.082 20 70 CGIDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1cccnc1 ZINC000159403623 372139217 /nfs/dbraw/zinc/13/92/17/372139217.db2.gz QTDWTBMKAKOONT-UHFFFAOYSA-N 1 1 283.419 3.082 20 70 CGIDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1cccnc1 ZINC000159403623 372139223 /nfs/dbraw/zinc/13/92/23/372139223.db2.gz QTDWTBMKAKOONT-UHFFFAOYSA-N 1 1 283.419 3.082 20 70 CGIDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159464048 372146361 /nfs/dbraw/zinc/14/63/61/372146361.db2.gz CVEXZZWDKFXRHD-RISCZKNCSA-N 1 1 271.763 3.072 20 70 CGIDMO CCc1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000159696573 372170446 /nfs/dbraw/zinc/17/04/46/372170446.db2.gz LPFOIUBIXMKSAB-AAEUAGOBSA-N 1 1 250.411 3.470 20 70 CGIDMO C[N@@H+](CCn1ccnc1)Cc1csc2ccccc12 ZINC000159744399 372175184 /nfs/dbraw/zinc/17/51/84/372175184.db2.gz KIHQOAZQASLFMZ-UHFFFAOYSA-N 1 1 271.389 3.230 20 70 CGIDMO C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160097708 372212136 /nfs/dbraw/zinc/21/21/36/372212136.db2.gz FDUFBCXOERTYKD-IINYFYTJSA-N 1 1 296.773 3.069 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)n1 ZINC000159807706 372182888 /nfs/dbraw/zinc/18/28/88/372182888.db2.gz ZOADXENTSQSYEW-MSOLQXFVSA-N 1 1 282.387 3.261 20 70 CGIDMO C[N@@H+](CCNCc1coc2ccccc12)C1CCCC1 ZINC000159823541 372184684 /nfs/dbraw/zinc/18/46/84/372184684.db2.gz BPCANDQUZULRKM-UHFFFAOYSA-N 1 1 272.392 3.397 20 70 CGIDMO CN(CC[NH2+]Cc1coc2ccccc12)C1CCCC1 ZINC000159823541 372184691 /nfs/dbraw/zinc/18/46/91/372184691.db2.gz BPCANDQUZULRKM-UHFFFAOYSA-N 1 1 272.392 3.397 20 70 CGIDMO CCCCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000161027028 372296273 /nfs/dbraw/zinc/29/62/73/372296273.db2.gz SNASCUAXQMKAQG-NHYWBVRUSA-N 1 1 298.377 3.310 20 70 CGIDMO C[NH+](C)[C@H]1CCC[C@H](N[C@@H]2CCc3ccccc32)C1 ZINC000161034647 372297020 /nfs/dbraw/zinc/29/70/20/372297020.db2.gz BOXOVJHDLKZTBA-YQQAZPJKSA-N 1 1 258.409 3.136 20 70 CGIDMO COCC[N@@H+](Cc1ccsc1)Cc1ccccc1 ZINC000160453859 372247805 /nfs/dbraw/zinc/24/78/05/372247805.db2.gz BSCAPMDTVBJJSL-UHFFFAOYSA-N 1 1 261.390 3.397 20 70 CGIDMO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1cccc(F)c1 ZINC000160474149 372250018 /nfs/dbraw/zinc/25/00/18/372250018.db2.gz ZPUPSVZPDCSTCO-UHFFFAOYSA-N 1 1 289.398 3.316 20 70 CGIDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160474149 372250025 /nfs/dbraw/zinc/25/00/25/372250025.db2.gz ZPUPSVZPDCSTCO-UHFFFAOYSA-N 1 1 289.398 3.316 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000160527247 372255926 /nfs/dbraw/zinc/25/59/26/372255926.db2.gz NVLLLRQATRQASO-STQMWFEESA-N 1 1 287.407 3.352 20 70 CGIDMO CCc1ccc([C@H](C)[NH2+]Cc2nc(CC)cc(=O)[nH]2)cc1 ZINC000160543164 372256760 /nfs/dbraw/zinc/25/67/60/372256760.db2.gz DMUBMZQSZUXPIM-LBPRGKRZSA-N 1 1 285.391 3.158 20 70 CGIDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)nc2)o1 ZINC000160855044 372281706 /nfs/dbraw/zinc/28/17/06/372281706.db2.gz YNFNVHSNOXGWCJ-UHFFFAOYSA-N 1 1 285.391 3.215 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)nc2)o1 ZINC000160855044 372281713 /nfs/dbraw/zinc/28/17/13/372281713.db2.gz YNFNVHSNOXGWCJ-UHFFFAOYSA-N 1 1 285.391 3.215 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000161207907 372309785 /nfs/dbraw/zinc/30/97/85/372309785.db2.gz HYXMARJMMLHYTA-UHFFFAOYSA-N 1 1 287.350 3.109 20 70 CGIDMO CSc1ccc([C@@H](C)NC2CC[NH+](C)CC2)cc1F ZINC000161456050 372325092 /nfs/dbraw/zinc/32/50/92/372325092.db2.gz BQYFXAGRPURUCV-LLVKDONJSA-N 1 1 282.428 3.292 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNc1ncnc2sc(C)c(C)c21 ZINC000217366317 376172707 /nfs/dbraw/zinc/17/27/07/376172707.db2.gz SSZPMYHCQMIXRK-SNVBAGLBSA-N 1 1 292.452 3.450 20 70 CGIDMO C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217527142 376174290 /nfs/dbraw/zinc/17/42/90/376174290.db2.gz GLCPLRIIBRRZSK-NEPJUHHUSA-N 1 1 284.350 3.020 20 70 CGIDMO CN1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565772 376176065 /nfs/dbraw/zinc/17/60/65/376176065.db2.gz UXNPEZOWRDWFKQ-DYVFJYSZSA-N 1 1 276.399 3.208 20 70 CGIDMO COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000218125178 376184811 /nfs/dbraw/zinc/18/48/11/376184811.db2.gz QUQUPNJLLZSQBG-ZLIFDBKOSA-N 1 1 292.398 3.112 20 70 CGIDMO C[C@@H](CCSc1ccccc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160808115 542156260 /nfs/dbraw/zinc/15/62/60/542156260.db2.gz HQTOBUBYWSMVDZ-BBRMVZONSA-N 1 1 279.449 3.260 20 70 CGIDMO OCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1F ZINC000218312661 392996376 /nfs/dbraw/zinc/99/63/76/392996376.db2.gz BMDKJXIALHAJPH-UHFFFAOYSA-N 1 1 293.769 3.474 20 70 CGIDMO OCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1F ZINC000218312661 392996384 /nfs/dbraw/zinc/99/63/84/392996384.db2.gz BMDKJXIALHAJPH-UHFFFAOYSA-N 1 1 293.769 3.474 20 70 CGIDMO COc1cc(C)c(C[N@@H+](C)Cc2ccccn2)cc1OC ZINC000218064719 392996482 /nfs/dbraw/zinc/99/64/82/392996482.db2.gz ZKXIDIPKUFXVID-UHFFFAOYSA-N 1 1 286.375 3.039 20 70 CGIDMO Cc1cc[nH+]c(N[C@H]2CCCc3cc(N)ccc32)c1 ZINC000159493619 274818638 /nfs/dbraw/zinc/81/86/38/274818638.db2.gz DFARPXJDOWTACF-HNNXBMFYSA-N 1 1 253.349 3.462 20 70 CGIDMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000160730740 527375441 /nfs/dbraw/zinc/37/54/41/527375441.db2.gz RUIDTSYEFDBSBB-OCCSQVGLSA-N 1 1 298.390 3.341 20 70 CGIDMO CCn1nccc1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160624695 232245397 /nfs/dbraw/zinc/24/53/97/232245397.db2.gz VMWPIRCVKRBSMT-UHFFFAOYSA-N 1 1 295.333 3.136 20 70 CGIDMO CCn1nccc1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160624695 232245399 /nfs/dbraw/zinc/24/53/99/232245399.db2.gz VMWPIRCVKRBSMT-UHFFFAOYSA-N 1 1 295.333 3.136 20 70 CGIDMO c1ccc(C[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161232602 232248973 /nfs/dbraw/zinc/24/89/73/232248973.db2.gz GRXPFSWFQUVXSM-LJQANCHMSA-N 1 1 286.463 3.427 20 70 CGIDMO c1ccc(C[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000161232602 232248974 /nfs/dbraw/zinc/24/89/74/232248974.db2.gz GRXPFSWFQUVXSM-LJQANCHMSA-N 1 1 286.463 3.427 20 70 CGIDMO c1ccc(C[C@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000161232602 232248977 /nfs/dbraw/zinc/24/89/77/232248977.db2.gz GRXPFSWFQUVXSM-LJQANCHMSA-N 1 1 286.463 3.427 20 70 CGIDMO CCc1ccc([C@H](C)CC(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000160182767 346169955 /nfs/dbraw/zinc/16/99/55/346169955.db2.gz VVBVTQRHNJYRAA-OAHLLOKOSA-N 1 1 290.451 3.199 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCCOC(C)C)n1 ZINC000159779629 372179906 /nfs/dbraw/zinc/17/99/06/372179906.db2.gz GJUPFSHPUVWLCB-INIZCTEOSA-N 1 1 262.397 3.342 20 70 CGIDMO Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000159475179 372147561 /nfs/dbraw/zinc/14/75/61/372147561.db2.gz LJZGFVNQYYRWDB-XYJFISCASA-N 1 1 274.452 3.164 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000159682367 372168628 /nfs/dbraw/zinc/16/86/28/372168628.db2.gz GADACZKJBZBNEM-YUELXQCFSA-N 1 1 276.428 3.150 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCc2ccncc2)n1 ZINC000159753968 372175693 /nfs/dbraw/zinc/17/56/93/372175693.db2.gz CSGSNGKLUGMGBF-QGZVFWFLSA-N 1 1 267.376 3.165 20 70 CGIDMO Clc1ccccc1[C@@H]1CCC[N@H+]1CCn1ccnc1 ZINC000159764728 372178557 /nfs/dbraw/zinc/17/85/57/372178557.db2.gz GPRHCIVUGOOZJE-HNNXBMFYSA-N 1 1 275.783 3.374 20 70 CGIDMO C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160097591 372212533 /nfs/dbraw/zinc/21/25/33/372212533.db2.gz FDUFBCXOERTYKD-QMTHXVAHSA-N 1 1 296.773 3.069 20 70 CGIDMO CC1(C)CCC(CC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000160140337 372217212 /nfs/dbraw/zinc/21/72/12/372217212.db2.gz UCFBIFDYXKADPC-HNNXBMFYSA-N 1 1 292.467 3.193 20 70 CGIDMO Cc1ncc([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264947 372231908 /nfs/dbraw/zinc/23/19/08/372231908.db2.gz ANSBVCSTRQCFPI-KBPBESRZSA-N 1 1 290.455 3.009 20 70 CGIDMO CC(C)c1ccc(OCC[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000160326470 372237974 /nfs/dbraw/zinc/23/79/74/372237974.db2.gz IRCIGAFNDRJOBH-WBVHZDCISA-N 1 1 290.451 3.261 20 70 CGIDMO CC[N@H+](Cc1cccnc1C)C[C@@H]1COc2ccccc2O1 ZINC000160955203 372290282 /nfs/dbraw/zinc/29/02/82/372290282.db2.gz XXRLRTJSWCWTDS-MRXNPFEDSA-N 1 1 298.386 3.052 20 70 CGIDMO CC[N@H+]1CC[C@@H]([NH2+]CCSc2ccccc2)[C@H](C)C1 ZINC000160514361 372253917 /nfs/dbraw/zinc/25/39/17/372253917.db2.gz POOMDRSTNZMWJF-GDBMZVCRSA-N 1 1 278.465 3.099 20 70 CGIDMO CCN1CC[C@@H]([NH2+]CCSc2ccccc2)[C@H](C)C1 ZINC000160514361 372253925 /nfs/dbraw/zinc/25/39/25/372253925.db2.gz POOMDRSTNZMWJF-GDBMZVCRSA-N 1 1 278.465 3.099 20 70 CGIDMO CCCCC[N@@H+](CCCS(=O)(=O)C(C)C)C(C)C ZINC000160789994 372275358 /nfs/dbraw/zinc/27/53/58/372275358.db2.gz QXHMSSITPQREGZ-UHFFFAOYSA-N 1 1 277.474 3.100 20 70 CGIDMO Fc1cc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000218314885 376186347 /nfs/dbraw/zinc/18/63/47/376186347.db2.gz VJFGESGPVSAVPE-CABCVRRESA-N 1 1 282.790 3.196 20 70 CGIDMO Fc1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)ccc1Cl ZINC000218314885 376186353 /nfs/dbraw/zinc/18/63/53/376186353.db2.gz VJFGESGPVSAVPE-CABCVRRESA-N 1 1 282.790 3.196 20 70 CGIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)c(F)c1 ZINC000159676534 542150941 /nfs/dbraw/zinc/15/09/41/542150941.db2.gz DHCWDEGVRAMRCC-NHYWBVRUSA-N 1 1 294.345 3.168 20 70 CGIDMO CCCn1nccc1C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000160059805 542152908 /nfs/dbraw/zinc/15/29/08/542152908.db2.gz FLPKVCQDHHRYOG-GFCCVEGCSA-N 1 1 291.370 3.292 20 70 CGIDMO CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160847620 542155862 /nfs/dbraw/zinc/15/58/62/542155862.db2.gz BNBMNBZDQGKYCD-CABCVRRESA-N 1 1 267.800 3.494 20 70 CGIDMO c1nc2ccccn2c1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000160793255 392583257 /nfs/dbraw/zinc/58/32/57/392583257.db2.gz RHUJZFDYZPYWGR-KRWDZBQOSA-N 1 1 299.418 3.258 20 70 CGIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359441 397658627 /nfs/dbraw/zinc/65/86/27/397658627.db2.gz UXPCPICRXBWRLF-CPUCHLNUSA-N 1 1 290.426 3.176 20 70 CGIDMO COc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161040005 295209845 /nfs/dbraw/zinc/20/98/45/295209845.db2.gz AKTPRSRBKBCNBO-SNPRPXQTSA-N 1 1 294.414 3.358 20 70 CGIDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000216859647 329307551 /nfs/dbraw/zinc/30/75/51/329307551.db2.gz LVXQLQLYPLWLCS-WMLDXEAASA-N 1 1 292.467 3.431 20 70 CGIDMO COC(C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)OC ZINC000160619144 522533535 /nfs/dbraw/zinc/53/35/35/522533535.db2.gz KZILWRQRDLSFGI-ZDUSSCGKSA-N 1 1 269.772 3.096 20 70 CGIDMO C(CN1CCCCC1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000161450822 518386940 /nfs/dbraw/zinc/38/69/40/518386940.db2.gz OPRPUYJKUIBXQU-UHFFFAOYSA-N 1 1 294.483 3.001 20 70 CGIDMO C(CN1CCC(C2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000161450822 518386944 /nfs/dbraw/zinc/38/69/44/518386944.db2.gz OPRPUYJKUIBXQU-UHFFFAOYSA-N 1 1 294.483 3.001 20 70 CGIDMO CC[N@H+](Cc1c(C)nc2ccccn21)Cc1ccccn1 ZINC000161437948 521274978 /nfs/dbraw/zinc/27/49/78/521274978.db2.gz IQSXOOWZVAIURK-UHFFFAOYSA-N 1 1 280.375 3.060 20 70 CGIDMO CC[N@@H+](Cc1c(C)nc2ccccn21)Cc1ccccn1 ZINC000161437948 521274985 /nfs/dbraw/zinc/27/49/85/521274985.db2.gz IQSXOOWZVAIURK-UHFFFAOYSA-N 1 1 280.375 3.060 20 70 CGIDMO CC(C)C[C@@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000160755561 528381217 /nfs/dbraw/zinc/38/12/17/528381217.db2.gz JPBOISHRPIXFKU-INIZCTEOSA-N 1 1 252.446 3.373 20 70 CGIDMO CC(C)C[C@@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000160755561 528381223 /nfs/dbraw/zinc/38/12/23/528381223.db2.gz JPBOISHRPIXFKU-INIZCTEOSA-N 1 1 252.446 3.373 20 70 CGIDMO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000160278218 372233282 /nfs/dbraw/zinc/23/32/82/372233282.db2.gz OCEJALXDSUSTOU-SJLPKXTDSA-N 1 1 296.414 3.476 20 70 CGIDMO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000160278218 372233289 /nfs/dbraw/zinc/23/32/89/372233289.db2.gz OCEJALXDSUSTOU-SJLPKXTDSA-N 1 1 296.414 3.476 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000160291605 372235671 /nfs/dbraw/zinc/23/56/71/372235671.db2.gz IPCOPHYWFSVDKR-VIFPVBQESA-N 1 1 298.312 3.237 20 70 CGIDMO C[C@H]1SCC[N@@H+](CCn2ccnc2)[C@H]1c1ccccc1 ZINC000159834439 372185457 /nfs/dbraw/zinc/18/54/57/372185457.db2.gz YXFMJZNZDCUPCO-GDBMZVCRSA-N 1 1 287.432 3.062 20 70 CGIDMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160470585 372249957 /nfs/dbraw/zinc/24/99/57/372249957.db2.gz BEYNTMOELOKFOP-UHFFFAOYSA-N 1 1 286.350 3.416 20 70 CGIDMO C[N@H+](Cc1ccc(Cl)cc1)CC1=CCCOC1 ZINC000160812097 372276924 /nfs/dbraw/zinc/27/69/24/372276924.db2.gz CBAXGGXCDLCREU-UHFFFAOYSA-N 1 1 251.757 3.119 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc2cc(OC)ccc2c1 ZINC000161199487 372309690 /nfs/dbraw/zinc/30/96/90/372309690.db2.gz YSVBINHCUMHUNJ-UHFFFAOYSA-N 1 1 273.376 3.053 20 70 CGIDMO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000161040924 274137360 /nfs/dbraw/zinc/13/73/60/274137360.db2.gz LVJSSZIPJCKBBH-IIDMSEBBSA-N 1 1 288.435 3.145 20 70 CGIDMO C[C@@H]1CCC[C@H](C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000160634664 524346789 /nfs/dbraw/zinc/34/67/89/524346789.db2.gz JVNILEALBWWLID-IKGGRYGDSA-N 1 1 294.483 3.441 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)cc1F ZINC000160066687 529343625 /nfs/dbraw/zinc/34/36/25/529343625.db2.gz ZOKMGTOWKQLAEN-OLZOCXBDSA-N 1 1 282.403 3.215 20 70 CGIDMO C[N@H+](Cc1ccc(OC(F)F)cc1)CC1=CCCOC1 ZINC000160629030 529989722 /nfs/dbraw/zinc/98/97/22/529989722.db2.gz OQKCZLNNHUPQBL-UHFFFAOYSA-N 1 1 283.318 3.067 20 70 CGIDMO CC[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000160130150 346170201 /nfs/dbraw/zinc/17/02/01/346170201.db2.gz GCNNKGGWKZXYNK-RDJZCZTQSA-N 1 1 288.435 3.089 20 70 CGIDMO CCc1ccc([C@@H](C)CC(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000160182650 346170269 /nfs/dbraw/zinc/17/02/69/346170269.db2.gz VVBVTQRHNJYRAA-HNNXBMFYSA-N 1 1 290.451 3.199 20 70 CGIDMO CCCCN(CCCC)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160741201 346172122 /nfs/dbraw/zinc/17/21/22/346172122.db2.gz KWXAVPBEGFHJBJ-INIZCTEOSA-N 1 1 295.471 3.083 20 70 CGIDMO CCOCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000159472769 372147964 /nfs/dbraw/zinc/14/79/64/372147964.db2.gz NZPNBSKKBXAZIX-UHFFFAOYSA-N 1 1 282.472 3.001 20 70 CGIDMO CCOCCC[N@@H+](C)Cc1csc(Br)c1 ZINC000159611217 372161109 /nfs/dbraw/zinc/16/11/09/372161109.db2.gz VNMGLCXHVQNHGK-UHFFFAOYSA-N 1 1 292.242 3.369 20 70 CGIDMO CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159611343 372161626 /nfs/dbraw/zinc/16/16/26/372161626.db2.gz BWJLUZPRLIQKFT-CQSZACIVSA-N 1 1 282.472 3.249 20 70 CGIDMO C[C@H]1CN(C[C@@H]2CCC[N@H+]2CCC2CCCC2)C[C@H](C)O1 ZINC000159637608 372164625 /nfs/dbraw/zinc/16/46/25/372164625.db2.gz FKKDDIHVPQFLIU-BQFCYCMXSA-N 1 1 294.483 3.140 20 70 CGIDMO C[C@@H](C1CC1)[N@@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000159681078 372168051 /nfs/dbraw/zinc/16/80/51/372168051.db2.gz BZJJJVFNBAPWNY-AWEZNQCLSA-N 1 1 269.392 3.221 20 70 CGIDMO Cc1nc2ccccn2c1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000159774695 372178494 /nfs/dbraw/zinc/17/84/94/372178494.db2.gz FMNUPIAZWZPQGI-BETUJISGSA-N 1 1 257.381 3.406 20 70 CGIDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC3(CCC3)C2)CC1 ZINC000160150435 372218449 /nfs/dbraw/zinc/21/84/49/372218449.db2.gz KFYIVFNBXHNSDN-UHFFFAOYSA-N 1 1 292.467 3.147 20 70 CGIDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)c1cccs1 ZINC000160247576 372230132 /nfs/dbraw/zinc/23/01/32/372230132.db2.gz COHLDJHDYPBXJG-UONOGXRCSA-N 1 1 294.464 3.232 20 70 CGIDMO Cc1cccc2nc(C[NH2+][C@H](C)c3cncc(F)c3)cn21 ZINC000160327594 372239566 /nfs/dbraw/zinc/23/95/66/372239566.db2.gz ONZLLGJJXZYCEE-GFCCVEGCSA-N 1 1 284.338 3.028 20 70 CGIDMO CC[C@@H](C)CN(C)c1cc[nH+]cc1Br ZINC000159952800 372198755 /nfs/dbraw/zinc/19/87/55/372198755.db2.gz SYTOAQBSOJDCDW-SECBINFHSA-N 1 1 257.175 3.326 20 70 CGIDMO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1cncs1 ZINC000160400194 372244444 /nfs/dbraw/zinc/24/44/44/372244444.db2.gz DFBNFTWJTUHQSE-GXTWGEPZSA-N 1 1 281.469 3.304 20 70 CGIDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC000160441207 372247493 /nfs/dbraw/zinc/24/74/93/372247493.db2.gz XCLAQSGOFMFIHL-UHFFFAOYSA-N 1 1 295.386 3.212 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)[nH]1 ZINC000160672279 372266972 /nfs/dbraw/zinc/26/69/72/372266972.db2.gz MKTUWHJMBQVPSW-HNNXBMFYSA-N 1 1 284.407 3.388 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2cccc3c[nH]nc32)o1 ZINC000160854444 372281940 /nfs/dbraw/zinc/28/19/40/372281940.db2.gz HPPUDNNUWQJALV-UHFFFAOYSA-N 1 1 255.321 3.096 20 70 CGIDMO Fc1cc(Cl)cc(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000160885439 372284775 /nfs/dbraw/zinc/28/47/75/372284775.db2.gz IDLKUEIDZHKKAJ-UHFFFAOYSA-N 1 1 282.790 3.196 20 70 CGIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccccc1OC ZINC000161175181 372307683 /nfs/dbraw/zinc/30/76/83/372307683.db2.gz DZCYQBASBWAJEX-LSDHHAIUSA-N 1 1 276.424 3.220 20 70 CGIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccccc1OC ZINC000161175181 372307688 /nfs/dbraw/zinc/30/76/88/372307688.db2.gz DZCYQBASBWAJEX-LSDHHAIUSA-N 1 1 276.424 3.220 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1CCC(C)C ZINC000161427997 372323560 /nfs/dbraw/zinc/32/35/60/372323560.db2.gz RHQKVMLWVZMQQW-HNNXBMFYSA-N 1 1 278.444 3.397 20 70 CGIDMO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217657814 376177503 /nfs/dbraw/zinc/17/75/03/376177503.db2.gz MGUYTXXAPVGMMA-QGTPRVQTSA-N 1 1 288.435 3.363 20 70 CGIDMO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217657814 376177511 /nfs/dbraw/zinc/17/75/11/376177511.db2.gz MGUYTXXAPVGMMA-QGTPRVQTSA-N 1 1 288.435 3.363 20 70 CGIDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680717 376179938 /nfs/dbraw/zinc/17/99/38/376179938.db2.gz HJDCDKXKPCABKR-RCBQFDQVSA-N 1 1 262.372 3.103 20 70 CGIDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680717 376179946 /nfs/dbraw/zinc/17/99/46/376179946.db2.gz HJDCDKXKPCABKR-RCBQFDQVSA-N 1 1 262.372 3.103 20 70 CGIDMO Cc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218129199 376185244 /nfs/dbraw/zinc/18/52/44/376185244.db2.gz GRDZHIMHAJTXTR-SJORKVTESA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1C ZINC000218129199 376185250 /nfs/dbraw/zinc/18/52/50/376185250.db2.gz GRDZHIMHAJTXTR-SJORKVTESA-N 1 1 258.409 3.020 20 70 CGIDMO CCn1cnnc1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000218222321 376187296 /nfs/dbraw/zinc/18/72/96/376187296.db2.gz KFIVOFHTIPEQPS-UHFFFAOYSA-N 1 1 298.415 3.316 20 70 CGIDMO Cc1cc2c(cc1C)[C@@H](NC1CC[NH+](C)CC1)CCCO2 ZINC000161479799 292007855 /nfs/dbraw/zinc/00/78/55/292007855.db2.gz DIHDOXMHYAYRCR-KRWDZBQOSA-N 1 1 288.435 3.201 20 70 CGIDMO Cc1[nH+]c2c(n1CC(=O)c1ccccc1F)CCCC2 ZINC000216880296 329307749 /nfs/dbraw/zinc/30/77/49/329307749.db2.gz UVOLZWRBNVBSJY-UHFFFAOYSA-N 1 1 272.323 3.092 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160790213 527177465 /nfs/dbraw/zinc/17/74/65/527177465.db2.gz NIMCDCMYHBFSNI-GJZGRUSLSA-N 1 1 269.392 3.407 20 70 CGIDMO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccco2)c1 ZINC000160628787 528464493 /nfs/dbraw/zinc/46/44/93/528464493.db2.gz UDIBBVNYYLOVEZ-CYBMUJFWSA-N 1 1 286.375 3.270 20 70 CGIDMO c1ccc(C[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161232474 232248992 /nfs/dbraw/zinc/24/89/92/232248992.db2.gz GRXPFSWFQUVXSM-IBGZPJMESA-N 1 1 286.463 3.427 20 70 CGIDMO c1ccc(C[C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000161232474 232248994 /nfs/dbraw/zinc/24/89/94/232248994.db2.gz GRXPFSWFQUVXSM-IBGZPJMESA-N 1 1 286.463 3.427 20 70 CGIDMO c1ccc(C[C@@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000161232474 232248995 /nfs/dbraw/zinc/24/89/95/232248995.db2.gz GRXPFSWFQUVXSM-IBGZPJMESA-N 1 1 286.463 3.427 20 70 CGIDMO CC(C)[N@@H+](Cc1cnc2ccccn12)C1CCCC1 ZINC000159601978 372160654 /nfs/dbraw/zinc/16/06/54/372160654.db2.gz OBJMCKBRKVNKBJ-UHFFFAOYSA-N 1 1 257.381 3.487 20 70 CGIDMO CCCN1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000159800708 372181690 /nfs/dbraw/zinc/18/16/90/372181690.db2.gz RRJJMTJZQUTZMR-UHFFFAOYSA-N 1 1 272.392 3.397 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000160057965 372208503 /nfs/dbraw/zinc/20/85/03/372208503.db2.gz FCKZGJBVFZNBEW-KGLIPLIRSA-N 1 1 291.439 3.026 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000160057965 372208510 /nfs/dbraw/zinc/20/85/10/372208510.db2.gz FCKZGJBVFZNBEW-KGLIPLIRSA-N 1 1 291.439 3.026 20 70 CGIDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C)cn2)CC1 ZINC000160108966 372213890 /nfs/dbraw/zinc/21/38/90/372213890.db2.gz IZIYMOOVEYFCII-MRXNPFEDSA-N 1 1 262.397 3.171 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)[nH]1 ZINC000160277830 372233345 /nfs/dbraw/zinc/23/33/45/372233345.db2.gz MEBYJQGIZDOFMC-LBPRGKRZSA-N 1 1 284.407 3.097 20 70 CGIDMO COc1ccccc1-c1nnc(C[N@@H+](C)CC(C)(C)C)o1 ZINC000160316073 372236982 /nfs/dbraw/zinc/23/69/82/372236982.db2.gz YUWMTLXZJYHQBU-UHFFFAOYSA-N 1 1 289.379 3.223 20 70 CGIDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000160325355 372237016 /nfs/dbraw/zinc/23/70/16/372237016.db2.gz JXQUQPAQSMXVFB-HOTGVXAUSA-N 1 1 295.423 3.058 20 70 CGIDMO c1coc([C@H]2CCCCC[N@@H+]2CCn2ccnc2)c1 ZINC000159836935 372184147 /nfs/dbraw/zinc/18/41/47/372184147.db2.gz QWYOGCGNXHHIQQ-CQSZACIVSA-N 1 1 259.353 3.093 20 70 CGIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111561 372302589 /nfs/dbraw/zinc/30/25/89/372302589.db2.gz LWCZMMHXEYBBES-RCBQFDQVSA-N 1 1 264.388 3.349 20 70 CGIDMO COCC[N@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000160442672 372247313 /nfs/dbraw/zinc/24/73/13/372247313.db2.gz YQWBRTQZCRGMFA-UHFFFAOYSA-N 1 1 299.370 3.064 20 70 CGIDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000160442672 372247317 /nfs/dbraw/zinc/24/73/17/372247317.db2.gz YQWBRTQZCRGMFA-UHFFFAOYSA-N 1 1 299.370 3.064 20 70 CGIDMO COCC[N@@H+](Cc1occc1C)Cc1ccccc1 ZINC000160449018 372248419 /nfs/dbraw/zinc/24/84/19/372248419.db2.gz DYDYRMZIESGKAS-UHFFFAOYSA-N 1 1 259.349 3.237 20 70 CGIDMO CC[C@@H](C)C[N@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000160590811 372261269 /nfs/dbraw/zinc/26/12/69/372261269.db2.gz ZCSNYNJPVMQBMQ-LLVKDONJSA-N 1 1 292.423 3.385 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000160590811 372261274 /nfs/dbraw/zinc/26/12/74/372261274.db2.gz ZCSNYNJPVMQBMQ-LLVKDONJSA-N 1 1 292.423 3.385 20 70 CGIDMO CCN1CC[C@@H]([NH2+]CCCCc2nc(C)cs2)[C@H](C)C1 ZINC000160659378 372266676 /nfs/dbraw/zinc/26/66/76/372266676.db2.gz DAKBPLZLBWTDPV-UKRRQHHQSA-N 1 1 295.496 3.094 20 70 CGIDMO CCN1CC[C@H]([NH2+]CCCCc2nc(C)cs2)[C@H](C)C1 ZINC000160659256 372266777 /nfs/dbraw/zinc/26/67/77/372266777.db2.gz DAKBPLZLBWTDPV-HIFRSBDPSA-N 1 1 295.496 3.094 20 70 CGIDMO C[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccc(Cl)cc1 ZINC000160813384 372277378 /nfs/dbraw/zinc/27/73/78/372277378.db2.gz HMKDAZPLOAQQIN-UHFFFAOYSA-N 1 1 294.807 3.132 20 70 CGIDMO C[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccc(Cl)cc1 ZINC000160813384 372277386 /nfs/dbraw/zinc/27/73/86/372277386.db2.gz HMKDAZPLOAQQIN-UHFFFAOYSA-N 1 1 294.807 3.132 20 70 CGIDMO Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)o1 ZINC000160866246 372283392 /nfs/dbraw/zinc/28/33/92/372283392.db2.gz PWJNTZOLQCVGBF-UHFFFAOYSA-N 1 1 261.369 3.241 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2c[nH]nc2C(C)(C)C)o1 ZINC000160866246 372283396 /nfs/dbraw/zinc/28/33/96/372283396.db2.gz PWJNTZOLQCVGBF-UHFFFAOYSA-N 1 1 261.369 3.241 20 70 CGIDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(OC(F)F)c1 ZINC000161137264 372304366 /nfs/dbraw/zinc/30/43/66/372304366.db2.gz ZGDYTZBMIFLUQB-UHFFFAOYSA-N 1 1 295.333 3.044 20 70 CGIDMO C[C@H]1CCCC[N@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216875911 376168231 /nfs/dbraw/zinc/16/82/31/376168231.db2.gz SFTOUFHEBXJTMI-GXTWGEPZSA-N 1 1 259.349 3.341 20 70 CGIDMO Clc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000217455779 376174368 /nfs/dbraw/zinc/17/43/68/376174368.db2.gz FPQMQVIUYGKRGX-RYUDHWBXSA-N 1 1 292.814 3.046 20 70 CGIDMO C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217491959 376175270 /nfs/dbraw/zinc/17/52/70/376175270.db2.gz PNTPXZZIXQNRDM-UKRRQHHQSA-N 1 1 254.377 3.324 20 70 CGIDMO FC(F)Oc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217643460 376177607 /nfs/dbraw/zinc/17/76/07/376177607.db2.gz XOZASSFMMFUZNR-GJZGRUSLSA-N 1 1 296.361 3.004 20 70 CGIDMO FC(F)Oc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217643460 376177613 /nfs/dbraw/zinc/17/76/13/376177613.db2.gz XOZASSFMMFUZNR-GJZGRUSLSA-N 1 1 296.361 3.004 20 70 CGIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680538 376179878 /nfs/dbraw/zinc/17/98/78/376179878.db2.gz HJDCDKXKPCABKR-MAZHCROVSA-N 1 1 262.372 3.103 20 70 CGIDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680538 376179883 /nfs/dbraw/zinc/17/98/83/376179883.db2.gz HJDCDKXKPCABKR-MAZHCROVSA-N 1 1 262.372 3.103 20 70 CGIDMO C(CN1CCCCC1)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000160886533 392583413 /nfs/dbraw/zinc/58/34/13/392583413.db2.gz PLYKFVNOZOYHIY-INIZCTEOSA-N 1 1 250.430 3.127 20 70 CGIDMO C(CN1CCCCC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000160886533 392583421 /nfs/dbraw/zinc/58/34/21/392583421.db2.gz PLYKFVNOZOYHIY-INIZCTEOSA-N 1 1 250.430 3.127 20 70 CGIDMO C[C@@H](CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000216730068 392993022 /nfs/dbraw/zinc/99/30/22/392993022.db2.gz RDJFICVOSDVNRJ-QLFBSQMISA-N 1 1 294.483 3.438 20 70 CGIDMO O=C1C[C@H](c2ccccc2)[N@@H+](CCC2CCCC2)CCN1 ZINC000159483555 280273641 /nfs/dbraw/zinc/27/36/41/280273641.db2.gz XUYHCQIMZKGUHM-QGZVFWFLSA-N 1 1 286.419 3.130 20 70 CGIDMO C[C@H]1CCC[C@H](C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000160634789 524176524 /nfs/dbraw/zinc/17/65/24/524176524.db2.gz JVNILEALBWWLID-ULQDDVLXSA-N 1 1 294.483 3.441 20 70 CGIDMO Cc1nccn1CCCC[N@H+](C)CCc1ccc(F)cc1 ZINC000161453469 527392749 /nfs/dbraw/zinc/39/27/49/527392749.db2.gz CIRFGOCYCLKICI-UHFFFAOYSA-N 1 1 289.398 3.285 20 70 CGIDMO CCSCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000160032931 529180216 /nfs/dbraw/zinc/18/02/16/529180216.db2.gz DWRWYECFWMZJMU-CQSZACIVSA-N 1 1 265.422 3.238 20 70 CGIDMO Cn1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000160622925 530009866 /nfs/dbraw/zinc/00/98/66/530009866.db2.gz QWRMKPCRDYNKBU-UHFFFAOYSA-N 1 1 280.318 3.259 20 70 CGIDMO CCOCCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000159369974 372135862 /nfs/dbraw/zinc/13/58/62/372135862.db2.gz QAXMBSFTQYOZKF-UHFFFAOYSA-N 1 1 251.370 3.451 20 70 CGIDMO c1ccc(C[N@@H+](CCOCC2CC2)C[C@@H]2CCCO2)cc1 ZINC000159548665 372154299 /nfs/dbraw/zinc/15/42/99/372154299.db2.gz TVSOHIQESYALCP-SFHVURJKSA-N 1 1 289.419 3.094 20 70 CGIDMO c1nc2ccccn2c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000159698273 372169895 /nfs/dbraw/zinc/16/98/95/372169895.db2.gz JTYAXRSUIJBGQD-HNNXBMFYSA-N 1 1 255.365 3.099 20 70 CGIDMO C[N@@H+](Cc1csc(C2CCCC2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159695832 372169927 /nfs/dbraw/zinc/16/99/27/372169927.db2.gz CYFYVARMUUHJIW-ZFWWWQNUSA-N 1 1 294.464 3.394 20 70 CGIDMO C[N@H+](Cc1csc(C2CCCC2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159695832 372169933 /nfs/dbraw/zinc/16/99/33/372169933.db2.gz CYFYVARMUUHJIW-ZFWWWQNUSA-N 1 1 294.464 3.394 20 70 CGIDMO C[N@@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCc2ccc(F)cc21 ZINC000159701701 372170514 /nfs/dbraw/zinc/17/05/14/372170514.db2.gz FKXVHMNIZMOJKT-XKQJLSEDSA-N 1 1 277.383 3.296 20 70 CGIDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159746345 372176529 /nfs/dbraw/zinc/17/65/29/372176529.db2.gz HGGDLFJNFZZSSF-JSGCOSHPSA-N 1 1 287.325 3.298 20 70 CGIDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763562 372178406 /nfs/dbraw/zinc/17/84/06/372178406.db2.gz BDEHNURFLMUXKD-SJORKVTESA-N 1 1 289.419 3.193 20 70 CGIDMO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccco2)cn1 ZINC000160092815 372213136 /nfs/dbraw/zinc/21/31/36/372213136.db2.gz DIVUOFPNUFPDPZ-LBPRGKRZSA-N 1 1 260.337 3.313 20 70 CGIDMO COc1c(C)cc(C[N@@H+](C)CCOCC2CC2)cc1C ZINC000160194563 372224028 /nfs/dbraw/zinc/22/40/28/372224028.db2.gz PMPKUCQICOLPCR-UHFFFAOYSA-N 1 1 277.408 3.170 20 70 CGIDMO CC[N@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@H](C)C1 ZINC000160514220 372253874 /nfs/dbraw/zinc/25/38/74/372253874.db2.gz POOMDRSTNZMWJF-ZBFHGGJFSA-N 1 1 278.465 3.099 20 70 CGIDMO CCN1CC[C@H]([NH2+]CCSc2ccccc2)[C@H](C)C1 ZINC000160514220 372253881 /nfs/dbraw/zinc/25/38/81/372253881.db2.gz POOMDRSTNZMWJF-ZBFHGGJFSA-N 1 1 278.465 3.099 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC000160547452 372257577 /nfs/dbraw/zinc/25/75/77/372257577.db2.gz OOCTUUMPRNUSNQ-UKRRQHHQSA-N 1 1 294.464 3.088 20 70 CGIDMO C[N@H+](Cc1ccc2c[nH]nc2c1)Cc1ccccc1F ZINC000160726058 372270648 /nfs/dbraw/zinc/27/06/48/372270648.db2.gz QXMHACYMMHDVMP-UHFFFAOYSA-N 1 1 269.323 3.334 20 70 CGIDMO C[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1ccccc1F ZINC000160726058 372270656 /nfs/dbraw/zinc/27/06/56/372270656.db2.gz QXMHACYMMHDVMP-UHFFFAOYSA-N 1 1 269.323 3.334 20 70 CGIDMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000161136325 372303894 /nfs/dbraw/zinc/30/38/94/372303894.db2.gz BPFSRQWATYZZBM-UHFFFAOYSA-N 1 1 263.772 3.312 20 70 CGIDMO C[NH2+]CCC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000161143577 372305481 /nfs/dbraw/zinc/30/54/81/372305481.db2.gz QEVRLGUCXDJBIX-UHFFFAOYSA-N 1 1 284.806 3.301 20 70 CGIDMO COC(C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1)OC ZINC000161289859 372314469 /nfs/dbraw/zinc/31/44/69/372314469.db2.gz GPSGXLVGFQYTAG-SFHVURJKSA-N 1 1 297.398 3.405 20 70 CGIDMO CCCNC(=O)C[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000161503925 372328661 /nfs/dbraw/zinc/32/86/61/372328661.db2.gz NIRKZEURFQPIFK-LBPRGKRZSA-N 1 1 286.778 3.046 20 70 CGIDMO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCN(C)C1 ZINC000217571398 376176194 /nfs/dbraw/zinc/17/61/94/376176194.db2.gz DSHKQURYYKKANV-KSSFIOAISA-N 1 1 288.435 3.004 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2ccc(N)cc2s1 ZINC000218729058 542286711 /nfs/dbraw/zinc/28/67/11/542286711.db2.gz DTBQJWMCFZLQDA-SNVBAGLBSA-N 1 1 278.425 3.021 20 70 CGIDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000218674153 392997771 /nfs/dbraw/zinc/99/77/71/392997771.db2.gz DGOLAIPTXRGWEF-CHWSQXEVSA-N 1 1 278.371 3.193 20 70 CGIDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000218674153 392997779 /nfs/dbraw/zinc/99/77/79/392997779.db2.gz DGOLAIPTXRGWEF-CHWSQXEVSA-N 1 1 278.371 3.193 20 70 CGIDMO Fc1cc(Cl)cc(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000160910529 534443513 /nfs/dbraw/zinc/44/35/13/534443513.db2.gz ZGVYZZNGZDXSSZ-UHFFFAOYSA-N 1 1 293.725 3.498 20 70 CGIDMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000160730624 527375952 /nfs/dbraw/zinc/37/59/52/527375952.db2.gz RUIDTSYEFDBSBB-TZMCWYRMSA-N 1 1 298.390 3.341 20 70 CGIDMO CC(C)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161262621 527652025 /nfs/dbraw/zinc/65/20/25/527652025.db2.gz BKNMENVIGWJPPF-UHFFFAOYSA-N 1 1 252.446 3.230 20 70 CGIDMO Cc1nc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217630036 572395636 /nfs/dbraw/zinc/39/56/36/572395636.db2.gz DMJATZLQANXLHV-BPNCWPANSA-N 1 1 279.453 3.037 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000160898383 282092218 /nfs/dbraw/zinc/09/22/18/282092218.db2.gz PYVQBHRPXWIPKT-OLZOCXBDSA-N 1 1 257.381 3.263 20 70 CGIDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003109 282190592 /nfs/dbraw/zinc/19/05/92/282190592.db2.gz VXGODTAGULUNAT-BFYDXBDKSA-N 1 1 276.399 3.275 20 70 CGIDMO CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159779630 372180082 /nfs/dbraw/zinc/18/00/82/372180082.db2.gz IXFWBZKLZUWEGR-CQSZACIVSA-N 1 1 280.799 3.177 20 70 CGIDMO Fc1ccc(F)c(C[NH2+]Cc2cccc3c2NCC3)c1 ZINC000159416213 372141141 /nfs/dbraw/zinc/14/11/41/372141141.db2.gz PSCCNRLHUKMXEV-UHFFFAOYSA-N 1 1 274.314 3.223 20 70 CGIDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000159484116 372149336 /nfs/dbraw/zinc/14/93/36/372149336.db2.gz JVIFMZAOJBYVMD-OAHLLOKOSA-N 1 1 299.393 3.100 20 70 CGIDMO C[C@H](c1ccccn1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159634402 372163340 /nfs/dbraw/zinc/16/33/40/372163340.db2.gz OZSYPNIZIHSBGF-DNVCBOLYSA-N 1 1 294.398 3.317 20 70 CGIDMO C[C@H](c1ccccn1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159634402 372163345 /nfs/dbraw/zinc/16/33/45/372163345.db2.gz OZSYPNIZIHSBGF-DNVCBOLYSA-N 1 1 294.398 3.317 20 70 CGIDMO COC(=O)c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)oc1C ZINC000159651449 372165116 /nfs/dbraw/zinc/16/51/16/372165116.db2.gz QSZLATMCIXNXEN-WFASDCNBSA-N 1 1 277.364 3.139 20 70 CGIDMO CCSCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159702123 372172503 /nfs/dbraw/zinc/17/25/03/372172503.db2.gz QUMWNHQBQRZZNX-CQSZACIVSA-N 1 1 250.411 3.280 20 70 CGIDMO C[N@@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCc2c1cccc2Cl ZINC000159721902 372174127 /nfs/dbraw/zinc/17/41/27/372174127.db2.gz JVGMTZLAZBZNBC-XZJROXQQSA-N 1 1 279.811 3.420 20 70 CGIDMO Clc1ccccc1[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000159764832 372177457 /nfs/dbraw/zinc/17/74/57/372177457.db2.gz GPRHCIVUGOOZJE-OAHLLOKOSA-N 1 1 275.783 3.374 20 70 CGIDMO CCc1nc(C)c([C@@H](C)NCC[N@H+](C)[C@@H](C)CC)s1 ZINC000160063623 372209299 /nfs/dbraw/zinc/20/92/99/372209299.db2.gz BEJHYBTZCUTQLF-NWDGAFQWSA-N 1 1 283.485 3.395 20 70 CGIDMO CCc1nc(C)c([C@@H](C)[NH2+]CCN(C)[C@@H](C)CC)s1 ZINC000160063623 372209302 /nfs/dbraw/zinc/20/93/02/372209302.db2.gz BEJHYBTZCUTQLF-NWDGAFQWSA-N 1 1 283.485 3.395 20 70 CGIDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCOCC1CC1 ZINC000159811174 372183141 /nfs/dbraw/zinc/18/31/41/372183141.db2.gz BWCBGUFPYQWXHA-QGZVFWFLSA-N 1 1 289.419 3.129 20 70 CGIDMO CCc1oc2ccccc2c1C[N@@H+](C)CC(OC)OC ZINC000160349180 372240889 /nfs/dbraw/zinc/24/08/89/372240889.db2.gz BFLVTXOEXPOQME-UHFFFAOYSA-N 1 1 277.364 3.046 20 70 CGIDMO C[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1cccc(F)c1 ZINC000160459225 372247610 /nfs/dbraw/zinc/24/76/10/372247610.db2.gz NLQLBVGODXRLSJ-UHFFFAOYSA-N 1 1 269.323 3.334 20 70 CGIDMO Cc1ccc2ncc(C[N@@H+](C)Cc3cccc(F)c3)n2c1 ZINC000160473870 372249393 /nfs/dbraw/zinc/24/93/93/372249393.db2.gz HHSQEFXIHCIUIV-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO Cc1ccc2ncc(C[N@H+](C)Cc3cccc(F)c3)n2c1 ZINC000160473870 372249400 /nfs/dbraw/zinc/24/94/00/372249400.db2.gz HHSQEFXIHCIUIV-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO Cc1cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc(C)[nH+]1 ZINC000160529075 372256336 /nfs/dbraw/zinc/25/63/36/372256336.db2.gz NJTMZGSOXWXYTN-JKSUJKDBSA-N 1 1 283.375 3.426 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NCCc1cccs1 ZINC000160586092 372260742 /nfs/dbraw/zinc/26/07/42/372260742.db2.gz DSSMAPSGNWQYAM-KBPBESRZSA-N 1 1 296.480 3.163 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)n1 ZINC000160871272 372283918 /nfs/dbraw/zinc/28/39/18/372283918.db2.gz DXQJCKNUQMOVAX-CYBMUJFWSA-N 1 1 285.391 3.246 20 70 CGIDMO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c[nH]1 ZINC000161132684 372304600 /nfs/dbraw/zinc/30/46/00/372304600.db2.gz WTQMROHHHOSKQP-UHFFFAOYSA-N 1 1 292.766 3.087 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccccc1OC(C)C ZINC000217375095 376172585 /nfs/dbraw/zinc/17/25/85/376172585.db2.gz NQSZTNCDQADCMN-HNNXBMFYSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccccc1OC(C)C ZINC000217375095 376172592 /nfs/dbraw/zinc/17/25/92/376172592.db2.gz NQSZTNCDQADCMN-HNNXBMFYSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[N@H+](CCNCc1cccc(C2CC2)c1)C1CC1 ZINC000217414196 376174383 /nfs/dbraw/zinc/17/43/83/376174383.db2.gz HZCIEMYKVMVTDZ-UHFFFAOYSA-N 1 1 258.409 3.138 20 70 CGIDMO CC[N@@H+](CCNCc1cccc(C2CC2)c1)C1CC1 ZINC000217414196 376174388 /nfs/dbraw/zinc/17/43/88/376174388.db2.gz HZCIEMYKVMVTDZ-UHFFFAOYSA-N 1 1 258.409 3.138 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCc2ccc(F)cc21 ZINC000160112193 542153388 /nfs/dbraw/zinc/15/33/88/542153388.db2.gz FERMXAPMNNCQQN-BLLLJJGKSA-N 1 1 264.388 3.133 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000160112193 542153391 /nfs/dbraw/zinc/15/33/91/542153391.db2.gz FERMXAPMNNCQQN-BLLLJJGKSA-N 1 1 264.388 3.133 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccsc2)cc1OC ZINC000160827593 542155905 /nfs/dbraw/zinc/15/59/05/542155905.db2.gz DMHCYWMZZHHKQL-UHFFFAOYSA-N 1 1 277.389 3.397 20 70 CGIDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000160485681 392581940 /nfs/dbraw/zinc/58/19/40/392581940.db2.gz PXAPVUJVWDZCTQ-OAHLLOKOSA-N 1 1 257.381 3.345 20 70 CGIDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688703 392994755 /nfs/dbraw/zinc/99/47/55/392994755.db2.gz QXHIAKIVLZHVSM-ULQDDVLXSA-N 1 1 276.399 3.493 20 70 CGIDMO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688703 392994761 /nfs/dbraw/zinc/99/47/61/392994761.db2.gz QXHIAKIVLZHVSM-ULQDDVLXSA-N 1 1 276.399 3.493 20 70 CGIDMO CCc1ncnc(NCCC[N@@H+](C)C2CCCCC2)c1F ZINC000217966060 392996668 /nfs/dbraw/zinc/99/66/68/392996668.db2.gz RFCRBRSBZJIXEB-UHFFFAOYSA-N 1 1 294.418 3.245 20 70 CGIDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000218306108 265112559 /nfs/dbraw/zinc/11/25/59/265112559.db2.gz ILWWEPMFRHIJFL-NSHDSACASA-N 1 1 299.773 3.254 20 70 CGIDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000218306108 265112561 /nfs/dbraw/zinc/11/25/61/265112561.db2.gz ILWWEPMFRHIJFL-NSHDSACASA-N 1 1 299.773 3.254 20 70 CGIDMO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cnccn2)c1 ZINC000159897202 321843235 /nfs/dbraw/zinc/84/32/35/321843235.db2.gz NDQIOTODHJQTMQ-ZDUSSCGKSA-N 1 1 298.390 3.066 20 70 CGIDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879405 521727982 /nfs/dbraw/zinc/72/79/82/521727982.db2.gz WHRSHVDZHDFYOC-DZGCQCFKSA-N 1 1 289.448 3.440 20 70 CGIDMO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000160738884 523531320 /nfs/dbraw/zinc/53/13/20/523531320.db2.gz UCKAFTHIAVNGRF-HNNXBMFYSA-N 1 1 255.365 3.240 20 70 CGIDMO CCn1ccnc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000160738884 523531332 /nfs/dbraw/zinc/53/13/32/523531332.db2.gz UCKAFTHIAVNGRF-HNNXBMFYSA-N 1 1 255.365 3.240 20 70 CGIDMO CCc1noc(C)c1C[N@@H+](CC)CCc1nccs1 ZINC000159404772 372138952 /nfs/dbraw/zinc/13/89/52/372138952.db2.gz FTYILGWGVRRKFD-UHFFFAOYSA-N 1 1 279.409 3.067 20 70 CGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159477916 372147732 /nfs/dbraw/zinc/14/77/32/372147732.db2.gz LGUMRMXDQZORHP-UWVGGRQHSA-N 1 1 261.287 3.079 20 70 CGIDMO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159533250 372152664 /nfs/dbraw/zinc/15/26/64/372152664.db2.gz NSQWOKIPXBAADP-VXGBXAGGSA-N 1 1 298.377 3.310 20 70 CGIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(F)c1 ZINC000159663306 372166235 /nfs/dbraw/zinc/16/62/35/372166235.db2.gz IEOPKQYJNSEORJ-WFASDCNBSA-N 1 1 276.355 3.029 20 70 CGIDMO C[N@@H+](CCn1ccnc1)Cc1cc(Cl)cc(Cl)c1 ZINC000159759848 372176693 /nfs/dbraw/zinc/17/66/93/372176693.db2.gz JUVPKLDSWMRINA-UHFFFAOYSA-N 1 1 284.190 3.322 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000160271148 372231341 /nfs/dbraw/zinc/23/13/41/372231341.db2.gz GUFIDGLSSSIHBJ-VIFPVBQESA-N 1 1 298.312 3.237 20 70 CGIDMO C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000160276472 372234163 /nfs/dbraw/zinc/23/41/63/372234163.db2.gz AQQLPOAZGDOVLX-KGLIPLIRSA-N 1 1 279.403 3.136 20 70 CGIDMO C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C ZINC000160001399 372203152 /nfs/dbraw/zinc/20/31/52/372203152.db2.gz DEXUZCPYTMUGJL-ZIAGYGMSSA-N 1 1 280.456 3.001 20 70 CGIDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000160927298 372289320 /nfs/dbraw/zinc/28/93/20/372289320.db2.gz NXSHJZPUHIOULT-QGZVFWFLSA-N 1 1 294.402 3.400 20 70 CGIDMO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(F)c1 ZINC000160466586 372249443 /nfs/dbraw/zinc/24/94/43/372249443.db2.gz YXBMUBIXTHULPS-UHFFFAOYSA-N 1 1 275.371 3.478 20 70 CGIDMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(F)c1 ZINC000160466586 372249450 /nfs/dbraw/zinc/24/94/50/372249450.db2.gz YXBMUBIXTHULPS-UHFFFAOYSA-N 1 1 275.371 3.478 20 70 CGIDMO c1nc2ccccn2c1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161441173 372325660 /nfs/dbraw/zinc/32/56/60/372325660.db2.gz YUIQXBVLJVTHCC-GJZGRUSLSA-N 1 1 287.432 3.194 20 70 CGIDMO c1nc2ccccn2c1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000161441173 372325668 /nfs/dbraw/zinc/32/56/68/372325668.db2.gz YUIQXBVLJVTHCC-GJZGRUSLSA-N 1 1 287.432 3.194 20 70 CGIDMO CCn1cc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)cn1 ZINC000217458639 376174661 /nfs/dbraw/zinc/17/46/61/376174661.db2.gz FDUXBMPXODVXRO-HLLBOEOZSA-N 1 1 292.471 3.064 20 70 CGIDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)ccc1F ZINC000217672935 376176663 /nfs/dbraw/zinc/17/66/63/376176663.db2.gz CKDMFKCRYLGAIE-UVBJJODRSA-N 1 1 280.362 3.242 20 70 CGIDMO c1cc2cccc(CNCC[NH+]3CCCCCC3)c2[nH]1 ZINC000218089905 376185385 /nfs/dbraw/zinc/18/53/85/376185385.db2.gz JPAOMSGBMSEYSN-UHFFFAOYSA-N 1 1 271.408 3.134 20 70 CGIDMO CC[N@H+](CCc1nccs1)Cc1noc2c1CCCC2 ZINC000159378618 542148524 /nfs/dbraw/zinc/14/85/24/542148524.db2.gz GECXYUKKGSJOMQ-UHFFFAOYSA-N 1 1 291.420 3.075 20 70 CGIDMO CC[N@@H+](CCc1nccs1)Cc1noc2c1CCCC2 ZINC000159378618 542148527 /nfs/dbraw/zinc/14/85/27/542148527.db2.gz GECXYUKKGSJOMQ-UHFFFAOYSA-N 1 1 291.420 3.075 20 70 CGIDMO c1ccc(CCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000159898162 542151786 /nfs/dbraw/zinc/15/17/86/542151786.db2.gz MBDZQJDRLZVXAV-QZTJIDSGSA-N 1 1 272.436 3.226 20 70 CGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359785 392584828 /nfs/dbraw/zinc/58/48/28/392584828.db2.gz UXPCPICRXBWRLF-JKIFEVAISA-N 1 1 290.426 3.176 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCc2ccc(O)cc21 ZINC000217768700 392996137 /nfs/dbraw/zinc/99/61/37/392996137.db2.gz SZMICHLXOWWWPG-SUMWQHHRSA-N 1 1 276.424 3.090 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000217768700 392996141 /nfs/dbraw/zinc/99/61/41/392996141.db2.gz SZMICHLXOWWWPG-SUMWQHHRSA-N 1 1 276.424 3.090 20 70 CGIDMO Cc1nc(C[N@@H+](CCc2nccs2)C(C)C)cs1 ZINC000159811330 534348730 /nfs/dbraw/zinc/34/87/30/534348730.db2.gz QNFTWGDADSPXLU-UHFFFAOYSA-N 1 1 281.450 3.361 20 70 CGIDMO Cc1nc(C[N@H+](CCc2nccs2)C(C)C)cs1 ZINC000159811330 534348733 /nfs/dbraw/zinc/34/87/33/534348733.db2.gz QNFTWGDADSPXLU-UHFFFAOYSA-N 1 1 281.450 3.361 20 70 CGIDMO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccco1 ZINC000160758549 299407506 /nfs/dbraw/zinc/40/75/06/299407506.db2.gz AALOQMFCQJMTIZ-GOEBONIOSA-N 1 1 298.386 3.294 20 70 CGIDMO CCOCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000159400747 372139191 /nfs/dbraw/zinc/13/91/91/372139191.db2.gz JUNWNFARJKXVHR-UHFFFAOYSA-N 1 1 251.345 3.217 20 70 CGIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159505941 372150450 /nfs/dbraw/zinc/15/04/50/372150450.db2.gz RZCUJCREVFGCRX-HIFRSBDPSA-N 1 1 298.386 3.032 20 70 CGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159534896 372152734 /nfs/dbraw/zinc/15/27/34/372152734.db2.gz WHCVEOSQIURADE-BDAKNGLRSA-N 1 1 262.180 3.367 20 70 CGIDMO CCC(CC)(C[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)OC ZINC000159671421 372165683 /nfs/dbraw/zinc/16/56/83/372165683.db2.gz QFLWJLDXGAREGY-UHFFFAOYSA-N 1 1 296.411 3.041 20 70 CGIDMO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159739922 372173300 /nfs/dbraw/zinc/17/33/00/372173300.db2.gz BUBWQWNYFRXBEA-MRXNPFEDSA-N 1 1 271.364 3.332 20 70 CGIDMO C[N@@H+](CCSc1ccc(F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159746932 372175604 /nfs/dbraw/zinc/17/56/04/372175604.db2.gz BQMCOUGTMOBRSY-WFASDCNBSA-N 1 1 283.412 3.011 20 70 CGIDMO COC(C[NH+](Cc1cccs1)Cc1cccs1)OC ZINC000160344432 372241455 /nfs/dbraw/zinc/24/14/55/372241455.db2.gz XALNUJPNACMVGW-UHFFFAOYSA-N 1 1 297.445 3.431 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccccc1OC ZINC000160086387 372210991 /nfs/dbraw/zinc/21/09/91/372210991.db2.gz ZJWNAUMLVQAIBJ-KGLIPLIRSA-N 1 1 264.413 3.076 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccccc1OC ZINC000160086387 372210996 /nfs/dbraw/zinc/21/09/96/372210996.db2.gz ZJWNAUMLVQAIBJ-KGLIPLIRSA-N 1 1 264.413 3.076 20 70 CGIDMO CC[N@H+]1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC000160128460 372215839 /nfs/dbraw/zinc/21/58/39/372215839.db2.gz NMWMMGNZFATYSM-OAHLLOKOSA-N 1 1 280.456 3.051 20 70 CGIDMO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000160278089 372234233 /nfs/dbraw/zinc/23/42/33/372234233.db2.gz OCEJALXDSUSTOU-FUHWJXTLSA-N 1 1 296.414 3.476 20 70 CGIDMO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000160278089 372234239 /nfs/dbraw/zinc/23/42/39/372234239.db2.gz OCEJALXDSUSTOU-FUHWJXTLSA-N 1 1 296.414 3.476 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000159826750 372184221 /nfs/dbraw/zinc/18/42/21/372184221.db2.gz PSDNHKUNSZKDHL-OAHLLOKOSA-N 1 1 264.417 3.009 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@@](C)(CC)C1 ZINC000159826750 372184230 /nfs/dbraw/zinc/18/42/30/372184230.db2.gz PSDNHKUNSZKDHL-OAHLLOKOSA-N 1 1 264.417 3.009 20 70 CGIDMO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1cncc(F)c1 ZINC000160412834 372244415 /nfs/dbraw/zinc/24/44/15/372244415.db2.gz IHODBVOJARANFT-CXAGYDPISA-N 1 1 293.430 3.382 20 70 CGIDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1CCC(C)(C)CC1 ZINC000160654558 372266082 /nfs/dbraw/zinc/26/60/82/372266082.db2.gz JMPJPUMRWDLBRD-HIFRSBDPSA-N 1 1 280.456 3.001 20 70 CGIDMO FC(F)(F)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160864561 372284152 /nfs/dbraw/zinc/28/41/52/372284152.db2.gz YGLNXORNMSMLHQ-UHFFFAOYSA-N 1 1 283.297 3.109 20 70 CGIDMO C[N@H+](Cc1cnc2cnccn12)Cc1cccc(Cl)c1 ZINC000161128575 372304158 /nfs/dbraw/zinc/30/41/58/372304158.db2.gz OCKBPBMJKKSXBD-UHFFFAOYSA-N 1 1 286.766 3.015 20 70 CGIDMO C[N@@H+](Cc1cnc2cnccn12)Cc1cccc(Cl)c1 ZINC000161128575 372304164 /nfs/dbraw/zinc/30/41/64/372304164.db2.gz OCKBPBMJKKSXBD-UHFFFAOYSA-N 1 1 286.766 3.015 20 70 CGIDMO CC[C@](C)(O)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161176246 372307494 /nfs/dbraw/zinc/30/74/94/372307494.db2.gz UTBYTFMAHIIESJ-BJJXKVORSA-N 1 1 265.372 3.165 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161213794 372309257 /nfs/dbraw/zinc/30/92/57/372309257.db2.gz QFQHMWQZLMNYBF-UHFFFAOYSA-N 1 1 279.277 3.049 20 70 CGIDMO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000161455415 372325766 /nfs/dbraw/zinc/32/57/66/372325766.db2.gz ZJCBGBWPQOGQBU-GFCCVEGCSA-N 1 1 296.842 3.484 20 70 CGIDMO C/C(=C/c1ccccc1)CNCC[N@H+]1CCC[C@H](C)C1 ZINC000216986789 376170608 /nfs/dbraw/zinc/17/06/08/376170608.db2.gz NQAXULMPMZHTCQ-MUBYSKIDSA-N 1 1 272.436 3.411 20 70 CGIDMO C/C(=C/c1ccccc1)CNCC[N@@H+]1CCC[C@H](C)C1 ZINC000216986789 376170614 /nfs/dbraw/zinc/17/06/14/376170614.db2.gz NQAXULMPMZHTCQ-MUBYSKIDSA-N 1 1 272.436 3.411 20 70 CGIDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218118096 376184929 /nfs/dbraw/zinc/18/49/29/376184929.db2.gz AGSATQVYNNLVHQ-ULQDDVLXSA-N 1 1 288.435 3.363 20 70 CGIDMO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccccc1OC ZINC000218118096 376184934 /nfs/dbraw/zinc/18/49/34/376184934.db2.gz AGSATQVYNNLVHQ-ULQDDVLXSA-N 1 1 288.435 3.363 20 70 CGIDMO C[N@@H+](CCCNc1cccc(F)n1)C1CCCCC1 ZINC000218119569 376185213 /nfs/dbraw/zinc/18/52/13/376185213.db2.gz BXDZEQCXEFMZHH-UHFFFAOYSA-N 1 1 265.376 3.287 20 70 CGIDMO COc1ccc(Cl)c(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000218052322 270085421 /nfs/dbraw/zinc/08/54/21/270085421.db2.gz DIUICAGOWFFMNE-COPLHBTASA-N 1 1 282.815 3.489 20 70 CGIDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000218686688 270085598 /nfs/dbraw/zinc/08/55/98/270085598.db2.gz RBEPMXOAZMYTBJ-INIZCTEOSA-N 1 1 289.806 3.375 20 70 CGIDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(Cl)c1 ZINC000217814002 572869740 /nfs/dbraw/zinc/86/97/40/572869740.db2.gz DEYSMTSIXHJDPG-OKILXGFUSA-N 1 1 263.768 3.078 20 70 CGIDMO CC(C)[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000160718428 519799382 /nfs/dbraw/zinc/79/93/82/519799382.db2.gz SDQHCJFGVXDDEJ-GOSISDBHSA-N 1 1 298.434 3.491 20 70 CGIDMO CC(C)n1ccnc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000160875793 520029501 /nfs/dbraw/zinc/02/95/01/520029501.db2.gz VJJKBFZGSBCJSY-MRXNPFEDSA-N 1 1 269.392 3.454 20 70 CGIDMO c1oc2ccccc2c1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000161076195 526629559 /nfs/dbraw/zinc/62/95/59/526629559.db2.gz NVGGOEVAHMHQGO-JKSUJKDBSA-N 1 1 270.376 3.149 20 70 CGIDMO c1oc2ccccc2c1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000161076195 526629565 /nfs/dbraw/zinc/62/95/65/526629565.db2.gz NVGGOEVAHMHQGO-JKSUJKDBSA-N 1 1 270.376 3.149 20 70 CGIDMO CC(C)n1ccnc1C[N@H+](C)CCc1ccccc1 ZINC000160804116 528603893 /nfs/dbraw/zinc/60/38/93/528603893.db2.gz GRELUMDQVYXORZ-UHFFFAOYSA-N 1 1 257.381 3.139 20 70 CGIDMO CC(C)n1ccnc1C[N@@H+](C)CCc1ccccc1 ZINC000160804116 528603899 /nfs/dbraw/zinc/60/38/99/528603899.db2.gz GRELUMDQVYXORZ-UHFFFAOYSA-N 1 1 257.381 3.139 20 70 CGIDMO CCOCCC[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000159815345 528657436 /nfs/dbraw/zinc/65/74/36/528657436.db2.gz CRUSHACFHQGACS-UHFFFAOYSA-N 1 1 283.437 3.276 20 70 CGIDMO CCOCCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000159368347 372136044 /nfs/dbraw/zinc/13/60/44/372136044.db2.gz XTFRQKHOBWQJET-UHFFFAOYSA-N 1 1 269.335 3.356 20 70 CGIDMO Cc1ncccc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000159379538 372138022 /nfs/dbraw/zinc/13/80/22/372138022.db2.gz BAYOESYSVQZCBD-UHFFFAOYSA-N 1 1 297.446 3.390 20 70 CGIDMO Cc1ncccc1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000159379538 372138027 /nfs/dbraw/zinc/13/80/27/372138027.db2.gz BAYOESYSVQZCBD-UHFFFAOYSA-N 1 1 297.446 3.390 20 70 CGIDMO Cc1ccccc1CCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159552666 372156356 /nfs/dbraw/zinc/15/63/56/372156356.db2.gz CWHDWJHRDVDHIW-IRXDYDNUSA-N 1 1 261.409 3.020 20 70 CGIDMO C[N@H+](Cc1csc2ccccc12)C[C@H]1CCC[C@@H]1O ZINC000159684318 372168751 /nfs/dbraw/zinc/16/87/51/372168751.db2.gz SUNZOTGMRFEHAN-DOMZBBRYSA-N 1 1 275.417 3.494 20 70 CGIDMO CCOC(=O)C[N@H+](Cc1cccc(OC)c1)C1CCCC1 ZINC000159776185 372179553 /nfs/dbraw/zinc/17/95/53/372179553.db2.gz FVJMIJCMYSEVNB-UHFFFAOYSA-N 1 1 291.391 3.003 20 70 CGIDMO CCOC(=O)C[N@@H+](Cc1cccc(OC)c1)C1CCCC1 ZINC000159776185 372179559 /nfs/dbraw/zinc/17/95/59/372179559.db2.gz FVJMIJCMYSEVNB-UHFFFAOYSA-N 1 1 291.391 3.003 20 70 CGIDMO Cc1ccc(C(=O)CC[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000160286162 372233386 /nfs/dbraw/zinc/23/33/86/372233386.db2.gz YBMVANKDOWITJQ-UHFFFAOYSA-N 1 1 287.403 3.213 20 70 CGIDMO Cc1ccc(C(=O)CC[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000160286162 372233392 /nfs/dbraw/zinc/23/33/92/372233392.db2.gz YBMVANKDOWITJQ-UHFFFAOYSA-N 1 1 287.403 3.213 20 70 CGIDMO CSCCCNc1cc[nH+]cc1Br ZINC000159848178 372187527 /nfs/dbraw/zinc/18/75/27/372187527.db2.gz QNJQAWJXMZYXOV-UHFFFAOYSA-N 1 1 261.188 3.009 20 70 CGIDMO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161097922 372300085 /nfs/dbraw/zinc/30/00/85/372300085.db2.gz JLOQWENBUOBATN-SOLBZPMBSA-N 1 1 272.436 3.445 20 70 CGIDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccccn12 ZINC000160478002 372252523 /nfs/dbraw/zinc/25/25/23/372252523.db2.gz MGYAVPUBIZKCCE-YCPHGPKFSA-N 1 1 269.392 3.487 20 70 CGIDMO Cn1c2ccccc2[nH+]c1NCC1CCSCC1 ZINC000161084871 372300955 /nfs/dbraw/zinc/30/09/55/372300955.db2.gz XIRCDIBHGWKUQD-UHFFFAOYSA-N 1 1 261.394 3.128 20 70 CGIDMO Cc1[nH+]ccn1CCCCNC(=O)C1CCC(C)(C)CC1 ZINC000160664042 372266576 /nfs/dbraw/zinc/26/65/76/372266576.db2.gz INQDYBMCTDGKIG-UHFFFAOYSA-N 1 1 291.439 3.304 20 70 CGIDMO Cc1ccc(SCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160793832 372275184 /nfs/dbraw/zinc/27/51/84/372275184.db2.gz LOBPMGLTZJHDQF-GOEBONIOSA-N 1 1 278.465 3.017 20 70 CGIDMO Cc1ccc(SCC[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000160793832 372275190 /nfs/dbraw/zinc/27/51/90/372275190.db2.gz LOBPMGLTZJHDQF-GOEBONIOSA-N 1 1 278.465 3.017 20 70 CGIDMO COCCOc1cccc(C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000160847730 372281283 /nfs/dbraw/zinc/28/12/83/372281283.db2.gz UDWXMKFNUXIHAT-UHFFFAOYSA-N 1 1 289.375 3.245 20 70 CGIDMO Cc1ccc(C[N@H+](C)CC2=Cc3ccccc3OC2)o1 ZINC000160860478 372283081 /nfs/dbraw/zinc/28/30/81/372283081.db2.gz CKHGGEXMYNTJPK-UHFFFAOYSA-N 1 1 269.344 3.496 20 70 CGIDMO C[C@@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cncs1 ZINC000160862220 372283941 /nfs/dbraw/zinc/28/39/41/372283941.db2.gz DRPAJBUKHALZNH-UONOGXRCSA-N 1 1 289.448 3.314 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cccc(OC2CCCC2)c1 ZINC000161202032 372309499 /nfs/dbraw/zinc/30/94/99/372309499.db2.gz GZYMBYQVXBDQNQ-UHFFFAOYSA-N 1 1 277.408 3.212 20 70 CGIDMO O[C@H](Cn1c[nH+]c2c1CCCC2)c1cc2ccccc2o1 ZINC000216646047 376166516 /nfs/dbraw/zinc/16/65/16/376166516.db2.gz MQHPKRGQXFEVJP-OAHLLOKOSA-N 1 1 282.343 3.242 20 70 CGIDMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2ccccc21 ZINC000159586501 542150848 /nfs/dbraw/zinc/15/08/48/542150848.db2.gz XWGWHAQYFWDLPW-RDJZCZTQSA-N 1 1 298.430 3.230 20 70 CGIDMO CCn1nccc1C[NH2+]Cc1ccccc1OCC(C)C ZINC000160105027 542153073 /nfs/dbraw/zinc/15/30/73/542153073.db2.gz CDLSTAAPQPNKCW-UHFFFAOYSA-N 1 1 287.407 3.228 20 70 CGIDMO CCCN1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000160955509 542157476 /nfs/dbraw/zinc/15/74/76/542157476.db2.gz AMAULUVJJICCGM-INIZCTEOSA-N 1 1 272.436 3.180 20 70 CGIDMO C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)o1 ZINC000217654155 392995052 /nfs/dbraw/zinc/99/50/52/392995052.db2.gz GQUWELFIMUSVGY-BVUBDWEXSA-N 1 1 274.408 3.119 20 70 CGIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000217658645 290018792 /nfs/dbraw/zinc/01/87/92/290018792.db2.gz MNDHLVASQINRJO-XZJROXQQSA-N 1 1 280.362 3.242 20 70 CGIDMO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112319 525330991 /nfs/dbraw/zinc/33/09/91/525330991.db2.gz RSAOBSSNCRNSLX-IMJJTQAJSA-N 1 1 276.424 3.219 20 70 CGIDMO Fc1cc(Cl)ccc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000160715116 526302623 /nfs/dbraw/zinc/30/26/23/526302623.db2.gz WSHYMKYYPAIJKK-HUUCEWRRSA-N 1 1 282.790 3.196 20 70 CGIDMO CCSCC[N@@H+](CCc1nccs1)C(C)C ZINC000159855934 529179613 /nfs/dbraw/zinc/17/96/13/529179613.db2.gz IWJNPDAGKOGTCK-UHFFFAOYSA-N 1 1 258.456 3.149 20 70 CGIDMO Oc1cccc(C[N@@H+](CCOCC2CC2)CC2CC2)c1 ZINC000159912508 232243429 /nfs/dbraw/zinc/24/34/29/232243429.db2.gz RONLBRHXXCKHIE-UHFFFAOYSA-N 1 1 275.392 3.031 20 70 CGIDMO CC[C@H](C)C[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000217140100 571850386 /nfs/dbraw/zinc/85/03/86/571850386.db2.gz LVPUREOYZCHPOE-SOUVJXGZSA-N 1 1 268.445 3.001 20 70 CGIDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1O ZINC000159456423 372145529 /nfs/dbraw/zinc/14/55/29/372145529.db2.gz DHFSJQIXIRMVNH-BBRMVZONSA-N 1 1 261.409 3.187 20 70 CGIDMO C[N@H+](Cc1csc2ccccc12)C[C@@H]1CCC[C@@H]1O ZINC000159684184 372168361 /nfs/dbraw/zinc/16/83/61/372168361.db2.gz SUNZOTGMRFEHAN-WFASDCNBSA-N 1 1 275.417 3.494 20 70 CGIDMO COCCC[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000159688952 372170364 /nfs/dbraw/zinc/17/03/64/372170364.db2.gz OAVBIMDCFOENRZ-UHFFFAOYSA-N 1 1 262.180 3.462 20 70 CGIDMO Cc1ccc(C[N@H+](CCn2ccnc2)C(C)C)s1 ZINC000159775855 372177879 /nfs/dbraw/zinc/17/78/79/372177879.db2.gz DBDLZHZUXPKUGG-UHFFFAOYSA-N 1 1 263.410 3.164 20 70 CGIDMO Cc1cnc(C)c(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160234076 372227429 /nfs/dbraw/zinc/22/74/29/372227429.db2.gz QSRHQNNJDWTUEK-SUMWQHHRSA-N 1 1 296.418 3.026 20 70 CGIDMO Cc1ncc([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264826 372232455 /nfs/dbraw/zinc/23/24/55/372232455.db2.gz ANSBVCSTRQCFPI-UONOGXRCSA-N 1 1 290.455 3.009 20 70 CGIDMO CC(C)C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[C@H]1C ZINC000160328132 372238890 /nfs/dbraw/zinc/23/88/90/372238890.db2.gz LRRYULDKBROLSB-HZPDHXFCSA-N 1 1 280.456 3.288 20 70 CGIDMO Cc1ccc(C[N@H+](CCc2nccs2)C(C)C)nc1 ZINC000159819628 372183333 /nfs/dbraw/zinc/18/33/33/372183333.db2.gz LTMCBHZOHLUWJL-UHFFFAOYSA-N 1 1 275.421 3.300 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000159853017 372187431 /nfs/dbraw/zinc/18/74/31/372187431.db2.gz GHRKKCKRTDSZHZ-UHFFFAOYSA-N 1 1 281.359 3.204 20 70 CGIDMO CC[C@@H](SCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000160034495 372205495 /nfs/dbraw/zinc/20/54/95/372205495.db2.gz PICZZHCCJBLRNJ-OAHLLOKOSA-N 1 1 283.412 3.342 20 70 CGIDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(C)(C)CC1 ZINC000161058585 372298178 /nfs/dbraw/zinc/29/81/78/372298178.db2.gz DLRKLBUOUQFQGU-CVEARBPZSA-N 1 1 292.467 3.288 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(F)c(SC)c1 ZINC000160501211 372252319 /nfs/dbraw/zinc/25/23/19/372252319.db2.gz NHUKPIXRPFMSNM-LLVKDONJSA-N 1 1 298.427 3.008 20 70 CGIDMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(F)c1 ZINC000160560293 372257664 /nfs/dbraw/zinc/25/76/64/372257664.db2.gz WALPZAVMCKHTOE-BBRMVZONSA-N 1 1 290.382 3.419 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000160599764 372260840 /nfs/dbraw/zinc/26/08/40/372260840.db2.gz VCYLUQRVWHMGJP-RYUDHWBXSA-N 1 1 297.830 3.430 20 70 CGIDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)c[nH]1 ZINC000160810935 372277198 /nfs/dbraw/zinc/27/71/98/372277198.db2.gz UFOBJZHOPYHMBL-UHFFFAOYSA-N 1 1 292.766 3.087 20 70 CGIDMO C[N@H+](Cc1ccccc1Cl)CC1=CCCOC1 ZINC000160822921 372279627 /nfs/dbraw/zinc/27/96/27/372279627.db2.gz CTWUXJJCJGOKOZ-UHFFFAOYSA-N 1 1 251.757 3.119 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000161220975 372311657 /nfs/dbraw/zinc/31/16/57/372311657.db2.gz YGQXDIGHYJEKIR-UHFFFAOYSA-N 1 1 279.277 3.049 20 70 CGIDMO CCCNC(=O)C[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000161504048 372328707 /nfs/dbraw/zinc/32/87/07/372328707.db2.gz NIRKZEURFQPIFK-GFCCVEGCSA-N 1 1 286.778 3.046 20 70 CGIDMO CCn1cc([C@H](C)[NH2+]C[C@@H](C2CCCCC2)N(C)C)cn1 ZINC000160389691 392582529 /nfs/dbraw/zinc/58/25/29/392582529.db2.gz CZBUOVKLKNHOGS-YOEHRIQHSA-N 1 1 292.471 3.064 20 70 CGIDMO CCn1cc([C@@H](C)[NH2+]C[C@@H](C2CCCCC2)N(C)C)cn1 ZINC000160389556 392582578 /nfs/dbraw/zinc/58/25/78/392582578.db2.gz CZBUOVKLKNHOGS-PBHICJAKSA-N 1 1 292.471 3.064 20 70 CGIDMO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217678809 292247826 /nfs/dbraw/zinc/24/78/26/292247826.db2.gz RKQHXNIECJWZDH-UAGQMJEPSA-N 1 1 258.409 3.272 20 70 CGIDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217678809 292247827 /nfs/dbraw/zinc/24/78/27/292247827.db2.gz RKQHXNIECJWZDH-UAGQMJEPSA-N 1 1 258.409 3.272 20 70 CGIDMO CC1CCN(CC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160792099 521013672 /nfs/dbraw/zinc/01/36/72/521013672.db2.gz CMZSCISIGUGCAZ-UHFFFAOYSA-N 1 1 284.806 3.301 20 70 CGIDMO O=C(CCC[N@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000160039081 534344302 /nfs/dbraw/zinc/34/43/02/534344302.db2.gz FLHWJOLJAZMEJK-IYBDPMFKSA-N 1 1 257.377 3.381 20 70 CGIDMO CC(C)[N@@H+]1CC[C@@H](CNCc2coc3ccccc23)C1 ZINC000161095812 572882596 /nfs/dbraw/zinc/88/25/96/572882596.db2.gz IXPOATPZVXTTQR-AWEZNQCLSA-N 1 1 272.392 3.253 20 70 CGIDMO CC(C)[N@H+]1CC[C@@H](CNCc2coc3ccccc23)C1 ZINC000161095812 572882603 /nfs/dbraw/zinc/88/26/03/572882603.db2.gz IXPOATPZVXTTQR-AWEZNQCLSA-N 1 1 272.392 3.253 20 70 CGIDMO C[NH+](C)[C@H](CNC(=O)NCCCC(C)(C)C)c1ccco1 ZINC000160907789 346173126 /nfs/dbraw/zinc/17/31/26/346173126.db2.gz VRLRWRZQMVHADM-CYBMUJFWSA-N 1 1 295.427 3.008 20 70 CGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159534772 372152565 /nfs/dbraw/zinc/15/25/65/372152565.db2.gz WHCVEOSQIURADE-IUCAKERBSA-N 1 1 262.180 3.367 20 70 CGIDMO CCCCOC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160107342 372214622 /nfs/dbraw/zinc/21/46/22/372214622.db2.gz HHMMRUXCUWXARF-INIZCTEOSA-N 1 1 290.407 3.260 20 70 CGIDMO CCCO[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC000160275761 372233672 /nfs/dbraw/zinc/23/36/72/372233672.db2.gz ACKFNGMXISEKHO-INIZCTEOSA-N 1 1 287.407 3.115 20 70 CGIDMO COCCCCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159831388 372184046 /nfs/dbraw/zinc/18/40/46/372184046.db2.gz WOVCQNFMTWUFRW-MRXNPFEDSA-N 1 1 262.397 3.344 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000159943936 372196799 /nfs/dbraw/zinc/19/67/99/372196799.db2.gz RFIWZJUFGGWZTI-MRXNPFEDSA-N 1 1 253.349 3.122 20 70 CGIDMO Cc1ccc(C(=O)CC[N@H+](C)CCc2nccs2)cc1 ZINC000161014724 372294380 /nfs/dbraw/zinc/29/43/80/372294380.db2.gz CNXILRQLTQPXFK-UHFFFAOYSA-N 1 1 288.416 3.199 20 70 CGIDMO CN(C)c1cc[nH+]c(N[C@H]2CCCc3sccc32)n1 ZINC000161069448 372298068 /nfs/dbraw/zinc/29/80/68/372298068.db2.gz GWMNIWQSOASYRB-NSHDSACASA-N 1 1 274.393 3.094 20 70 CGIDMO COCc1ccc(C[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000160417352 372245285 /nfs/dbraw/zinc/24/52/85/372245285.db2.gz SQIAYBSJGPHPES-UHFFFAOYSA-N 1 1 285.387 3.474 20 70 CGIDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2C)nc1 ZINC000160489230 372251993 /nfs/dbraw/zinc/25/19/93/372251993.db2.gz CBFIRVHVUPBLDQ-UHFFFAOYSA-N 1 1 270.376 3.209 20 70 CGIDMO CCOc1cccc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000161146941 372305975 /nfs/dbraw/zinc/30/59/75/372305975.db2.gz ILDFWXXDVZJDGD-UHFFFAOYSA-N 1 1 274.339 3.251 20 70 CGIDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000161146941 372305981 /nfs/dbraw/zinc/30/59/81/372305981.db2.gz ILDFWXXDVZJDGD-UHFFFAOYSA-N 1 1 274.339 3.251 20 70 CGIDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000161168353 372307967 /nfs/dbraw/zinc/30/79/67/372307967.db2.gz ZIFDRQVQUZXBBZ-HNNXBMFYSA-N 1 1 294.483 3.297 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cc(C(F)(F)F)ccc1F ZINC000161221896 372311476 /nfs/dbraw/zinc/31/14/76/372311476.db2.gz HLQNIHLSHFRTCX-UHFFFAOYSA-N 1 1 279.277 3.049 20 70 CGIDMO C[C@H](CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000217472243 376173805 /nfs/dbraw/zinc/17/38/05/376173805.db2.gz DQKOMGOZEFGIEE-KYHPRHEASA-N 1 1 274.452 3.499 20 70 CGIDMO FC(F)Oc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217643379 376176330 /nfs/dbraw/zinc/17/63/30/376176330.db2.gz XOZASSFMMFUZNR-CABCVRRESA-N 1 1 296.361 3.004 20 70 CGIDMO FC(F)Oc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217643379 376176334 /nfs/dbraw/zinc/17/63/34/376176334.db2.gz XOZASSFMMFUZNR-CABCVRRESA-N 1 1 296.361 3.004 20 70 CGIDMO CC1CC[NH+](CCCNCc2cccc3cc[nH]c32)CC1 ZINC000218079146 376184915 /nfs/dbraw/zinc/18/49/15/376184915.db2.gz DRDZQHWBCPXKOA-UHFFFAOYSA-N 1 1 285.435 3.380 20 70 CGIDMO CCN(CC[NH2+][C@H](C)c1cscn1)C(=O)OC(C)(C)C ZINC000218240442 376186544 /nfs/dbraw/zinc/18/65/44/376186544.db2.gz ISVTUSRMPJZKEI-LLVKDONJSA-N 1 1 299.440 3.051 20 70 CGIDMO Cc1ccc2cc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)ccc2n1 ZINC000218365506 376187062 /nfs/dbraw/zinc/18/70/62/376187062.db2.gz YRMMAWVBIRMILQ-YOEHRIQHSA-N 1 1 283.419 3.116 20 70 CGIDMO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000160015374 542153308 /nfs/dbraw/zinc/15/33/08/542153308.db2.gz HSTHQRFIXACOMH-NSHDSACASA-N 1 1 279.334 3.422 20 70 CGIDMO C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000217933885 392996295 /nfs/dbraw/zinc/99/62/95/392996295.db2.gz SVQDQGQKRDKHMJ-JYYAWHABSA-N 1 1 260.425 3.108 20 70 CGIDMO CC1(C)C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C(C)(C)O1 ZINC000160501483 278388136 /nfs/dbraw/zinc/38/81/36/278388136.db2.gz UXXJIMATUKJVHR-INIZCTEOSA-N 1 1 294.483 3.329 20 70 CGIDMO C[C@H](CN[C@@H](C)c1ccco1)[N@H+](C)Cc1ccccc1 ZINC000160876169 524495853 /nfs/dbraw/zinc/49/58/53/524495853.db2.gz LCEKSWFGMVROKQ-CABCVRRESA-N 1 1 272.392 3.451 20 70 CGIDMO C[C@H](CN[C@@H](C)c1ccco1)[N@@H+](C)Cc1ccccc1 ZINC000160876169 524495859 /nfs/dbraw/zinc/49/58/59/524495859.db2.gz LCEKSWFGMVROKQ-CABCVRRESA-N 1 1 272.392 3.451 20 70 CGIDMO Cc1ncc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000160866080 527309663 /nfs/dbraw/zinc/30/96/63/527309663.db2.gz JBZUFTRZJNZQNS-ZDUSSCGKSA-N 1 1 298.434 3.006 20 70 CGIDMO Cc1nccn1CCCC[N@H+](C)[C@H](C)c1ccco1 ZINC000161502247 527393365 /nfs/dbraw/zinc/39/33/65/527393365.db2.gz NEJWZGIWLJCJCI-CYBMUJFWSA-N 1 1 261.369 3.258 20 70 CGIDMO CC(C)CCOC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160593729 527745901 /nfs/dbraw/zinc/74/59/01/527745901.db2.gz TZSAGKJTCWHZQL-UHFFFAOYSA-N 1 1 296.499 3.390 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(OC)ccc1OC ZINC000160066318 529344082 /nfs/dbraw/zinc/34/40/82/529344082.db2.gz SDCMAFMOIBQSFA-KGLIPLIRSA-N 1 1 294.439 3.085 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000159698420 282090148 /nfs/dbraw/zinc/09/01/48/282090148.db2.gz UDVKHQVYNXVJGZ-OAHLLOKOSA-N 1 1 269.392 3.407 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000160068316 529689362 /nfs/dbraw/zinc/68/93/62/529689362.db2.gz WPPCYSYMAWDNQY-RYUDHWBXSA-N 1 1 270.367 3.346 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000160080637 529689799 /nfs/dbraw/zinc/68/97/99/529689799.db2.gz IBFWJDOTCORTIG-STQMWFEESA-N 1 1 282.403 3.215 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000160080637 529689802 /nfs/dbraw/zinc/68/98/02/529689802.db2.gz IBFWJDOTCORTIG-STQMWFEESA-N 1 1 282.403 3.215 20 70 CGIDMO CC(C)[N@H+]1CC[C@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000160909965 346172890 /nfs/dbraw/zinc/17/28/90/346172890.db2.gz BNDCJIHKFLOZPO-GFCCVEGCSA-N 1 1 284.806 3.299 20 70 CGIDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000217937240 346291951 /nfs/dbraw/zinc/29/19/51/346291951.db2.gz VVELMJUFCUENGZ-YOEHRIQHSA-N 1 1 286.419 3.271 20 70 CGIDMO CC(C)(C)c1nsc(N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000159369071 372136197 /nfs/dbraw/zinc/13/61/97/372136197.db2.gz GYGLDMCYLZBXAM-NSHDSACASA-N 1 1 294.468 3.264 20 70 CGIDMO CCSCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000159472010 372147629 /nfs/dbraw/zinc/14/76/29/372147629.db2.gz YIXSPGDTHRAVRL-UHFFFAOYSA-N 1 1 284.513 3.328 20 70 CGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000159523429 372152637 /nfs/dbraw/zinc/15/26/37/372152637.db2.gz HOYZFKSYZQXKGP-MNOVXSKESA-N 1 1 294.782 3.369 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2)n1 ZINC000159795801 372181590 /nfs/dbraw/zinc/18/15/90/372181590.db2.gz HQIFMNDUXWXJKH-QGZVFWFLSA-N 1 1 295.386 3.166 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2)n1 ZINC000159795801 372181597 /nfs/dbraw/zinc/18/15/97/372181597.db2.gz HQIFMNDUXWXJKH-QGZVFWFLSA-N 1 1 295.386 3.166 20 70 CGIDMO CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000160121938 372216892 /nfs/dbraw/zinc/21/68/92/372216892.db2.gz KBEJGPVNLDSCJW-CABCVRRESA-N 1 1 280.456 3.051 20 70 CGIDMO CC[C@@]1(C)C[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000160166192 372220884 /nfs/dbraw/zinc/22/08/84/372220884.db2.gz NBCCMSJCMOHLHE-WMZOPIPTSA-N 1 1 288.435 3.061 20 70 CGIDMO Cc1csc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160250785 372229300 /nfs/dbraw/zinc/22/93/00/372229300.db2.gz HUOGONLDKFXFMT-AWEZNQCLSA-N 1 1 273.405 3.492 20 70 CGIDMO Cc1csc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160250785 372229307 /nfs/dbraw/zinc/22/93/07/372229307.db2.gz HUOGONLDKFXFMT-AWEZNQCLSA-N 1 1 273.405 3.492 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000160271266 372232120 /nfs/dbraw/zinc/23/21/20/372232120.db2.gz GUFIDGLSSSIHBJ-SECBINFHSA-N 1 1 298.312 3.237 20 70 CGIDMO C[C@H](CCNC(=O)[C@@H]1CC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000159819369 372183196 /nfs/dbraw/zinc/18/31/96/372183196.db2.gz LNZGKCHOVYFSOJ-ZBFHGGJFSA-N 1 1 288.435 3.059 20 70 CGIDMO C[NH+](C)[C@H]1CCC[C@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003014 372293924 /nfs/dbraw/zinc/29/39/24/372293924.db2.gz VXGODTAGULUNAT-YQQAZPJKSA-N 1 1 276.399 3.275 20 70 CGIDMO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000161026905 372296698 /nfs/dbraw/zinc/29/66/98/372296698.db2.gz SNASCUAXQMKAQG-ABAIWWIYSA-N 1 1 298.377 3.310 20 70 CGIDMO CCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1 ZINC000160479481 372251914 /nfs/dbraw/zinc/25/19/14/372251914.db2.gz DVUQJPWDTYXTNZ-UHFFFAOYSA-N 1 1 286.375 3.214 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000160546662 372256012 /nfs/dbraw/zinc/25/60/12/372256012.db2.gz GONRVGPANQWDLT-STQMWFEESA-N 1 1 282.453 3.121 20 70 CGIDMO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000160667098 372267054 /nfs/dbraw/zinc/26/70/54/372267054.db2.gz DRJMDHAONRHQCN-UHFFFAOYSA-N 1 1 271.408 3.484 20 70 CGIDMO CCCCOc1cccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)c1 ZINC000160823808 372278882 /nfs/dbraw/zinc/27/88/82/372278882.db2.gz KJCHJVVSQNHVKW-YJBOKZPZSA-N 1 1 290.451 3.295 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)o1 ZINC000160843851 372281498 /nfs/dbraw/zinc/28/14/98/372281498.db2.gz OAGABOCRLUXLJP-UHFFFAOYSA-N 1 1 281.359 3.406 20 70 CGIDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cncs1 ZINC000161154819 372306280 /nfs/dbraw/zinc/30/62/80/372306280.db2.gz UGWDYXIYRBOPDO-UHFFFAOYSA-N 1 1 282.796 3.307 20 70 CGIDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cncs1 ZINC000161154819 372306285 /nfs/dbraw/zinc/30/62/85/372306285.db2.gz UGWDYXIYRBOPDO-UHFFFAOYSA-N 1 1 282.796 3.307 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000161236278 372311063 /nfs/dbraw/zinc/31/10/63/372311063.db2.gz HOTOZIUPTZWPTG-UHFFFAOYSA-N 1 1 293.741 3.146 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc(C(C)(C)C)s1 ZINC000161220690 372311512 /nfs/dbraw/zinc/31/15/12/372311512.db2.gz CYHVHOTVOOKYIT-UHFFFAOYSA-N 1 1 255.427 3.250 20 70 CGIDMO CC[N@H+](CCNCc1ccc(C2CC2)cc1)C1CC1 ZINC000217434815 376174990 /nfs/dbraw/zinc/17/49/90/376174990.db2.gz RGJQPJAWNKOWEY-UHFFFAOYSA-N 1 1 258.409 3.138 20 70 CGIDMO CC[N@@H+](CCNCc1ccc(C2CC2)cc1)C1CC1 ZINC000217434815 376175000 /nfs/dbraw/zinc/17/50/00/376175000.db2.gz RGJQPJAWNKOWEY-UHFFFAOYSA-N 1 1 258.409 3.138 20 70 CGIDMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000217237935 392994524 /nfs/dbraw/zinc/99/45/24/392994524.db2.gz GKTANAVMOBXBAI-WMLDXEAASA-N 1 1 292.398 3.125 20 70 CGIDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000218674228 392997714 /nfs/dbraw/zinc/99/77/14/392997714.db2.gz DGOLAIPTXRGWEF-OLZOCXBDSA-N 1 1 278.371 3.193 20 70 CGIDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(F)c1 ZINC000218674228 392997721 /nfs/dbraw/zinc/99/77/21/392997721.db2.gz DGOLAIPTXRGWEF-OLZOCXBDSA-N 1 1 278.371 3.193 20 70 CGIDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000218686554 270085391 /nfs/dbraw/zinc/08/53/91/270085391.db2.gz FROUJDKLAZRKEU-QGZVFWFLSA-N 1 1 289.806 3.375 20 70 CGIDMO Cc1cc(C)c(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218126977 270085503 /nfs/dbraw/zinc/08/55/03/270085503.db2.gz ODXKAJDQIRXZHV-ROUUACIJSA-N 1 1 272.436 3.328 20 70 CGIDMO Cc1cc(C)c(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1C ZINC000218126977 270085506 /nfs/dbraw/zinc/08/55/06/270085506.db2.gz ODXKAJDQIRXZHV-ROUUACIJSA-N 1 1 272.436 3.328 20 70 CGIDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000218689138 270085629 /nfs/dbraw/zinc/08/56/29/270085629.db2.gz DKNODIFYNXGCHE-QGZVFWFLSA-N 1 1 289.806 3.375 20 70 CGIDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000216859600 329307484 /nfs/dbraw/zinc/30/74/84/329307484.db2.gz LVXQLQLYPLWLCS-YOEHRIQHSA-N 1 1 292.467 3.431 20 70 CGIDMO COC(C[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1)OC ZINC000160697510 522533721 /nfs/dbraw/zinc/53/37/21/522533721.db2.gz JJHIULHVUKWYPE-OAHLLOKOSA-N 1 1 263.381 3.059 20 70 CGIDMO COc1ccccc1C[N@@H+](CCO)CCC1CCCC1 ZINC000160484466 524441118 /nfs/dbraw/zinc/44/11/18/524441118.db2.gz NQNUAQIBDVYQGH-UHFFFAOYSA-N 1 1 277.408 3.070 20 70 CGIDMO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(C)C)CC1)CC2 ZINC000160767772 526208484 /nfs/dbraw/zinc/20/84/84/526208484.db2.gz OIGQGOXBOJHVKT-GOSISDBHSA-N 1 1 272.436 3.445 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+](C(C)C)C1CCOCC1 ZINC000160566525 527176893 /nfs/dbraw/zinc/17/68/93/527176893.db2.gz HTYPNEGKZZDDHL-UHFFFAOYSA-N 1 1 287.407 3.032 20 70 CGIDMO CCOCCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000159914393 528659809 /nfs/dbraw/zinc/65/98/09/528659809.db2.gz OHPTZBYQIDUUMM-UHFFFAOYSA-N 1 1 263.381 3.031 20 70 CGIDMO CC[C@@]1(C)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161311006 529523821 /nfs/dbraw/zinc/52/38/21/529523821.db2.gz HMKNFICJMHZLQZ-INIZCTEOSA-N 1 1 252.446 3.375 20 70 CGIDMO CC[C@@]1(C)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161311006 529523823 /nfs/dbraw/zinc/52/38/23/529523823.db2.gz HMKNFICJMHZLQZ-INIZCTEOSA-N 1 1 252.446 3.375 20 70 CGIDMO CC[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000160130293 346170043 /nfs/dbraw/zinc/17/00/43/346170043.db2.gz GCNNKGGWKZXYNK-WBVHZDCISA-N 1 1 288.435 3.089 20 70 CGIDMO CC(C)[N@H+]1CC[C@@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000160910106 346173074 /nfs/dbraw/zinc/17/30/74/346173074.db2.gz BNDCJIHKFLOZPO-LBPRGKRZSA-N 1 1 284.806 3.299 20 70 CGIDMO CCCOc1ccc(CNCC[N@@H+](C)[C@H](C)CC)cc1 ZINC000217375280 346291203 /nfs/dbraw/zinc/29/12/03/346291203.db2.gz LHYKWRRUMUQMFU-OAHLLOKOSA-N 1 1 278.440 3.295 20 70 CGIDMO CCCOc1ccc(C[NH2+]CCN(C)[C@H](C)CC)cc1 ZINC000217375280 346291206 /nfs/dbraw/zinc/29/12/06/346291206.db2.gz LHYKWRRUMUQMFU-OAHLLOKOSA-N 1 1 278.440 3.295 20 70 CGIDMO COc1ccccc1C[N@@H+](CCOCC1CC1)C1CC1 ZINC000159408148 372141265 /nfs/dbraw/zinc/14/12/65/372141265.db2.gz VMBFNGLCWOWDEL-UHFFFAOYSA-N 1 1 275.392 3.086 20 70 CGIDMO CCSCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000159584470 372157980 /nfs/dbraw/zinc/15/79/80/372157980.db2.gz HVBNTVMYQCCIIW-AWEZNQCLSA-N 1 1 269.410 3.014 20 70 CGIDMO Cc1cccc([C@@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159769315 372177634 /nfs/dbraw/zinc/17/76/34/372177634.db2.gz QBZPEWXZXWTVPN-CQSZACIVSA-N 1 1 265.422 3.121 20 70 CGIDMO Cc1cccc([C@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159769430 372177733 /nfs/dbraw/zinc/17/77/33/372177733.db2.gz QBZPEWXZXWTVPN-AWEZNQCLSA-N 1 1 265.422 3.121 20 70 CGIDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763445 372177938 /nfs/dbraw/zinc/17/79/38/372177938.db2.gz BDEHNURFLMUXKD-DLBZAZTESA-N 1 1 289.419 3.193 20 70 CGIDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763699 372178448 /nfs/dbraw/zinc/17/84/48/372178448.db2.gz BDEHNURFLMUXKD-IAGOWNOFSA-N 1 1 289.419 3.193 20 70 CGIDMO CCC[N@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000159780309 372179578 /nfs/dbraw/zinc/17/95/78/372179578.db2.gz FBZPEYBYAQSKSF-GFCCVEGCSA-N 1 1 259.353 3.063 20 70 CGIDMO CCC[N@@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000159780309 372179582 /nfs/dbraw/zinc/17/95/82/372179582.db2.gz FBZPEYBYAQSKSF-GFCCVEGCSA-N 1 1 259.353 3.063 20 70 CGIDMO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)cc1 ZINC000160138174 372215976 /nfs/dbraw/zinc/21/59/76/372215976.db2.gz RMWMWJKVBOCCGH-KBPBESRZSA-N 1 1 264.413 3.076 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)cc1 ZINC000160138174 372215980 /nfs/dbraw/zinc/21/59/80/372215980.db2.gz RMWMWJKVBOCCGH-KBPBESRZSA-N 1 1 264.413 3.076 20 70 CGIDMO CC(C)[N@@H+](CCOc1ccccc1)CCc1nccs1 ZINC000159947158 372196759 /nfs/dbraw/zinc/19/67/59/372196759.db2.gz UBAUIAJRNIPPRV-UHFFFAOYSA-N 1 1 290.432 3.475 20 70 CGIDMO Cc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161020509 372294327 /nfs/dbraw/zinc/29/43/27/372294327.db2.gz KQQJAFLEJJJWLR-MPGHIAIKSA-N 1 1 272.436 3.445 20 70 CGIDMO CN(C)c1cc[nH+]c(N[C@@H]2CCCc3sccc32)n1 ZINC000161069320 372298010 /nfs/dbraw/zinc/29/80/10/372298010.db2.gz GWMNIWQSOASYRB-LLVKDONJSA-N 1 1 274.393 3.094 20 70 CGIDMO CCC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000160482056 372251578 /nfs/dbraw/zinc/25/15/78/372251578.db2.gz XDAXFUUTXCUNFL-UHFFFAOYSA-N 1 1 257.381 3.439 20 70 CGIDMO Cn1c(C[N@@H+](C)C2CCCCC2)nnc1-c1ccccc1 ZINC000160671256 372266937 /nfs/dbraw/zinc/26/69/37/372266937.db2.gz NXMLAOVVQMYPRA-UHFFFAOYSA-N 1 1 284.407 3.247 20 70 CGIDMO C[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1F ZINC000160727754 372271031 /nfs/dbraw/zinc/27/10/31/372271031.db2.gz CURDLFQCPWCVIR-UHFFFAOYSA-N 1 1 299.393 3.453 20 70 CGIDMO C[N@@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1F ZINC000160727754 372271040 /nfs/dbraw/zinc/27/10/40/372271040.db2.gz CURDLFQCPWCVIR-UHFFFAOYSA-N 1 1 299.393 3.453 20 70 CGIDMO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000161234540 372310676 /nfs/dbraw/zinc/31/06/76/372310676.db2.gz HBYRTFVHLPHQMG-DLBZAZTESA-N 1 1 290.451 3.002 20 70 CGIDMO CCC[C@H]1CCC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC000161222770 372310970 /nfs/dbraw/zinc/31/09/70/372310970.db2.gz GVHPTRHNZVHFFQ-AWEZNQCLSA-N 1 1 264.417 3.009 20 70 CGIDMO CCC[C@H]1CCC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC000161222770 372310974 /nfs/dbraw/zinc/31/09/74/372310974.db2.gz GVHPTRHNZVHFFQ-AWEZNQCLSA-N 1 1 264.417 3.009 20 70 CGIDMO Cc1ccc(OC(F)F)c([C@@H](C)NC2CC[NH+](C)CC2)c1 ZINC000161428289 372323722 /nfs/dbraw/zinc/32/37/22/372323722.db2.gz DSEREDKZRZCJDP-GFCCVEGCSA-N 1 1 298.377 3.341 20 70 CGIDMO C[NH+]1CCC(N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161475255 372327698 /nfs/dbraw/zinc/32/76/98/372327698.db2.gz GPCWERTZWQGLLW-OAHLLOKOSA-N 1 1 292.398 3.112 20 70 CGIDMO COc1cc([C@H](C)NCCC[N@@H+](C)C(C)C)ccc1F ZINC000218228710 376186553 /nfs/dbraw/zinc/18/65/53/376186553.db2.gz RQVLQNNYVAMUGB-ZDUSSCGKSA-N 1 1 282.403 3.215 20 70 CGIDMO C[N@@H+](C[C@H](O)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000160808564 542156707 /nfs/dbraw/zinc/15/67/07/542156707.db2.gz YKHHOTITQBAGSP-SFHVURJKSA-N 1 1 279.383 3.459 20 70 CGIDMO COc1ccc(CN2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1Cl ZINC000160119438 533566445 /nfs/dbraw/zinc/56/64/45/533566445.db2.gz GJADGBFVSLVONQ-UONOGXRCSA-N 1 1 294.826 3.017 20 70 CGIDMO C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000216731139 392992202 /nfs/dbraw/zinc/99/22/02/392992202.db2.gz BPGFOJFTOFMIBE-GOSISDBHSA-N 1 1 284.378 3.314 20 70 CGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972766 274339596 /nfs/dbraw/zinc/33/95/96/274339596.db2.gz DGQHNIJNJANJDM-YQYZPQCESA-N 1 1 272.436 3.035 20 70 CGIDMO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000160886392 518389876 /nfs/dbraw/zinc/38/98/76/518389876.db2.gz PLYKFVNOZOYHIY-MRXNPFEDSA-N 1 1 250.430 3.127 20 70 CGIDMO C(CN1CCCCC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000160886392 518389880 /nfs/dbraw/zinc/38/98/80/518389880.db2.gz PLYKFVNOZOYHIY-MRXNPFEDSA-N 1 1 250.430 3.127 20 70 CGIDMO Cc1nc(C2([NH2+]CCC3CCCC3)CCCC2)no1 ZINC000159683518 346168403 /nfs/dbraw/zinc/16/84/03/346168403.db2.gz XVGRUSTYINOZJA-UHFFFAOYSA-N 1 1 263.385 3.317 20 70 CGIDMO C[NH+](C)[C@@H](CNC(=O)NCCCC(C)(C)C)c1ccco1 ZINC000160907691 346173069 /nfs/dbraw/zinc/17/30/69/346173069.db2.gz VRLRWRZQMVHADM-ZDUSSCGKSA-N 1 1 295.427 3.008 20 70 CGIDMO CCCOc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217632607 346291012 /nfs/dbraw/zinc/29/10/12/346291012.db2.gz ILXQLUVIZJKCJZ-MSOLQXFVSA-N 1 1 288.435 3.192 20 70 CGIDMO CCCOc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217632607 346291016 /nfs/dbraw/zinc/29/10/16/346291016.db2.gz ILXQLUVIZJKCJZ-MSOLQXFVSA-N 1 1 288.435 3.192 20 70 CGIDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCOCC1CC1 ZINC000159361389 372135834 /nfs/dbraw/zinc/13/58/34/372135834.db2.gz NXAAXGNGMDEFIU-LBPRGKRZSA-N 1 1 251.345 3.245 20 70 CGIDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1ccco1 ZINC000159367593 372136017 /nfs/dbraw/zinc/13/60/17/372136017.db2.gz BNOOWAQHIVRJET-UHFFFAOYSA-N 1 1 272.392 3.280 20 70 CGIDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccco1 ZINC000159367593 372136021 /nfs/dbraw/zinc/13/60/21/372136021.db2.gz BNOOWAQHIVRJET-UHFFFAOYSA-N 1 1 272.392 3.280 20 70 CGIDMO Cc1cc[nH+]c(N[C@@H]2CCCc3cc(N)ccc32)c1 ZINC000159493482 372149125 /nfs/dbraw/zinc/14/91/25/372149125.db2.gz DFARPXJDOWTACF-OAHLLOKOSA-N 1 1 253.349 3.462 20 70 CGIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625152 372163207 /nfs/dbraw/zinc/16/32/07/372163207.db2.gz PVCSZNWGISSBTD-RYUDHWBXSA-N 1 1 294.464 3.131 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccccc2)n1 ZINC000159807623 372183242 /nfs/dbraw/zinc/18/32/42/372183242.db2.gz ZOADXENTSQSYEW-ROUUACIJSA-N 1 1 282.387 3.261 20 70 CGIDMO C[C@@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159916298 372192312 /nfs/dbraw/zinc/19/23/12/372192312.db2.gz VMBBTFJKJTZVOU-SECBINFHSA-N 1 1 294.196 3.310 20 70 CGIDMO C[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159916298 372192319 /nfs/dbraw/zinc/19/23/19/372192319.db2.gz VMBBTFJKJTZVOU-SECBINFHSA-N 1 1 294.196 3.310 20 70 CGIDMO C[C@@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159916298 372192326 /nfs/dbraw/zinc/19/23/26/372192326.db2.gz VMBBTFJKJTZVOU-SECBINFHSA-N 1 1 294.196 3.310 20 70 CGIDMO CCC[N@@H+](Cc1cnn(CC)c1)Cc1ccccc1 ZINC000160475580 372250128 /nfs/dbraw/zinc/25/01/28/372250128.db2.gz VMLFSMWINGYHRZ-UHFFFAOYSA-N 1 1 257.381 3.315 20 70 CGIDMO C[C@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)CCN1C ZINC000160476137 372250721 /nfs/dbraw/zinc/25/07/21/372250721.db2.gz OMWSFKPFOYIPRP-GJZGRUSLSA-N 1 1 290.476 3.384 20 70 CGIDMO CCc1ccc([C@@H](C)[NH2+]Cc2nc(CC)cc(=O)[nH]2)cc1 ZINC000160543078 372255628 /nfs/dbraw/zinc/25/56/28/372255628.db2.gz DMUBMZQSZUXPIM-GFCCVEGCSA-N 1 1 285.391 3.158 20 70 CGIDMO CC1(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000160874298 372285817 /nfs/dbraw/zinc/28/58/17/372285817.db2.gz OCVNWNFQMFZWPH-AWEZNQCLSA-N 1 1 293.455 3.025 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000160911931 372288095 /nfs/dbraw/zinc/28/80/95/372288095.db2.gz MBXCMGGBINHDMM-WMLDXEAASA-N 1 1 298.434 3.375 20 70 CGIDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000161145438 372305458 /nfs/dbraw/zinc/30/54/58/372305458.db2.gz PKVHVOLWKVWTEH-UHFFFAOYSA-N 1 1 299.393 3.453 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000161231074 372311365 /nfs/dbraw/zinc/31/13/65/372311365.db2.gz GTIANRRZVSXSDD-OAHLLOKOSA-N 1 1 278.444 3.255 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000161231074 372311366 /nfs/dbraw/zinc/31/13/66/372311366.db2.gz GTIANRRZVSXSDD-OAHLLOKOSA-N 1 1 278.444 3.255 20 70 CGIDMO Cc1nc(Cl)cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000161291085 372314443 /nfs/dbraw/zinc/31/44/43/372314443.db2.gz PSERDIRPCILGCL-CYBMUJFWSA-N 1 1 296.846 3.218 20 70 CGIDMO Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000218044596 376183496 /nfs/dbraw/zinc/18/34/96/376183496.db2.gz IOAPMOAVHXIKIV-SJORKVTESA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1C ZINC000218044596 376183504 /nfs/dbraw/zinc/18/35/04/376183504.db2.gz IOAPMOAVHXIKIV-SJORKVTESA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1ccccc1[C@H](C)[NH2+]Cc1csc(N(C)C)n1 ZINC000159750708 542150831 /nfs/dbraw/zinc/15/08/31/542150831.db2.gz HFEZDKYBWPPKMN-LBPRGKRZSA-N 1 1 275.421 3.368 20 70 CGIDMO COc1ccc([C@@H](C)[N@@H+](C)CCCn2ccnc2C)cc1 ZINC000161353907 533100479 /nfs/dbraw/zinc/10/04/79/533100479.db2.gz YVWQWFGJUXVPGQ-CQSZACIVSA-N 1 1 287.407 3.283 20 70 CGIDMO CCOCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000159550347 286056350 /nfs/dbraw/zinc/05/63/50/286056350.db2.gz GOKBEABJTDMSIE-KRWDZBQOSA-N 1 1 277.408 3.094 20 70 CGIDMO CCSc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1 ZINC000160410508 521749914 /nfs/dbraw/zinc/74/99/14/521749914.db2.gz MZKRKZXTKPWAEC-LLVKDONJSA-N 1 1 290.436 3.330 20 70 CGIDMO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(C)C)CC1)CC2 ZINC000160767889 526191343 /nfs/dbraw/zinc/19/13/43/526191343.db2.gz OIGQGOXBOJHVKT-SFHVURJKSA-N 1 1 272.436 3.445 20 70 CGIDMO O=C(CC/C=C/c1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000159487462 346167681 /nfs/dbraw/zinc/16/76/81/346167681.db2.gz FCUXPFYVHLLQLR-SBLNNXNXSA-N 1 1 298.430 3.081 20 70 CGIDMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1 ZINC000159588531 346168134 /nfs/dbraw/zinc/16/81/34/346168134.db2.gz MBKOHOKBHCPZQZ-HOCLYGCPSA-N 1 1 272.392 3.280 20 70 CGIDMO CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159639951 346168762 /nfs/dbraw/zinc/16/87/62/346168762.db2.gz WGYOLTYXGCCTLZ-RDJZCZTQSA-N 1 1 286.419 3.452 20 70 CGIDMO CCCCN(CCCC)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160741056 346172479 /nfs/dbraw/zinc/17/24/79/346172479.db2.gz KWXAVPBEGFHJBJ-MRXNPFEDSA-N 1 1 295.471 3.083 20 70 CGIDMO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161025013 188504018 /nfs/dbraw/zinc/50/40/18/188504018.db2.gz UKMFEVZJVVPEPG-IINYFYTJSA-N 1 1 298.377 3.309 20 70 CGIDMO CC(C)(C)c1nsc(N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000159368942 372135995 /nfs/dbraw/zinc/13/59/95/372135995.db2.gz GYGLDMCYLZBXAM-LLVKDONJSA-N 1 1 294.468 3.264 20 70 CGIDMO CCN1CC[C@H]([NH2+]CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000159466341 372145993 /nfs/dbraw/zinc/14/59/93/372145993.db2.gz RQPZYGVAYVMFEQ-AEFFLSMTSA-N 1 1 274.452 3.166 20 70 CGIDMO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159703410 372172310 /nfs/dbraw/zinc/17/23/10/372172310.db2.gz LYIKJMCTMLOKJF-RDJZCZTQSA-N 1 1 286.419 3.153 20 70 CGIDMO CCn1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)cn1 ZINC000159751232 372176113 /nfs/dbraw/zinc/17/61/13/372176113.db2.gz MMHMOIJWQVPHPY-UHFFFAOYSA-N 1 1 267.376 3.192 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](CC)c2ccc(Cl)cc2)[nH]1 ZINC000160287238 372233319 /nfs/dbraw/zinc/23/33/19/372233319.db2.gz OIPLHVOSCKYNGZ-GFCCVEGCSA-N 1 1 278.787 3.261 20 70 CGIDMO CC(C)c1ccc(OCC[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000160333503 372239724 /nfs/dbraw/zinc/23/97/24/372239724.db2.gz JKUSHDYRQACIEL-YJBOKZPZSA-N 1 1 290.451 3.119 20 70 CGIDMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159843309 372186653 /nfs/dbraw/zinc/18/66/53/372186653.db2.gz OJNYJYYGZWTUBJ-QGZVFWFLSA-N 1 1 284.407 3.077 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cccc3c[nH]nc32)cc1 ZINC000159857426 372187046 /nfs/dbraw/zinc/18/70/46/372187046.db2.gz BZWNYOCGFKXSLC-UHFFFAOYSA-N 1 1 281.359 3.204 20 70 CGIDMO C[N@@H+](CCSc1ccccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159840574 372187383 /nfs/dbraw/zinc/18/73/83/372187383.db2.gz PDGVGYQRFLYYFA-JSGCOSHPSA-N 1 1 283.412 3.011 20 70 CGIDMO CC[C@H]1C[N@@H+](CCn2ccnc2)CC[C@@H]1c1ccccc1 ZINC000159865466 372188685 /nfs/dbraw/zinc/18/86/85/372188685.db2.gz FTOOSMOVMIVCDM-WMZOPIPTSA-N 1 1 283.419 3.399 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC000160426452 372245501 /nfs/dbraw/zinc/24/55/01/372245501.db2.gz HXQFHOAWQAXNFR-CYBMUJFWSA-N 1 1 294.826 3.190 20 70 CGIDMO COCC[N@H+](Cc1ccc(COC)o1)Cc1ccccc1 ZINC000160438880 372247161 /nfs/dbraw/zinc/24/71/61/372247161.db2.gz MCPUYXFBQIIXER-UHFFFAOYSA-N 1 1 289.375 3.075 20 70 CGIDMO COCC[N@@H+](Cc1ccc(COC)o1)Cc1ccccc1 ZINC000160438880 372247165 /nfs/dbraw/zinc/24/71/65/372247165.db2.gz MCPUYXFBQIIXER-UHFFFAOYSA-N 1 1 289.375 3.075 20 70 CGIDMO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000160641029 372265145 /nfs/dbraw/zinc/26/51/45/372265145.db2.gz NYJUBYKVLCEJAM-UHFFFAOYSA-N 1 1 287.359 3.397 20 70 CGIDMO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C)cc2)o1 ZINC000160641029 372265153 /nfs/dbraw/zinc/26/51/53/372265153.db2.gz NYJUBYKVLCEJAM-UHFFFAOYSA-N 1 1 287.359 3.397 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](CC2CCC2)c2ccccc2)[nH]1 ZINC000160672409 372266020 /nfs/dbraw/zinc/26/60/20/372266020.db2.gz MKTUWHJMBQVPSW-OAHLLOKOSA-N 1 1 284.407 3.388 20 70 CGIDMO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccco1 ZINC000160758677 372273137 /nfs/dbraw/zinc/27/31/37/372273137.db2.gz AALOQMFCQJMTIZ-GDBMZVCRSA-N 1 1 298.386 3.294 20 70 CGIDMO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2Cl)c[nH]1 ZINC000160821641 372279682 /nfs/dbraw/zinc/27/96/82/372279682.db2.gz AMSXQWQCONNCTK-UHFFFAOYSA-N 1 1 292.766 3.087 20 70 CGIDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2Cl)c[nH]1 ZINC000160821641 372279688 /nfs/dbraw/zinc/27/96/88/372279688.db2.gz AMSXQWQCONNCTK-UHFFFAOYSA-N 1 1 292.766 3.087 20 70 CGIDMO C[N@H+](Cc1cc(C(N)=O)cs1)Cc1cccc(Cl)c1 ZINC000161135356 372303963 /nfs/dbraw/zinc/30/39/63/372303963.db2.gz HIIQRAPXSVHKBG-UHFFFAOYSA-N 1 1 294.807 3.132 20 70 CGIDMO C[N@@H+](Cc1cc(C(N)=O)cs1)Cc1cccc(Cl)c1 ZINC000161135356 372303967 /nfs/dbraw/zinc/30/39/67/372303967.db2.gz HIIQRAPXSVHKBG-UHFFFAOYSA-N 1 1 294.807 3.132 20 70 CGIDMO Cc1nc(Cl)cc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000161290987 372314850 /nfs/dbraw/zinc/31/48/50/372314850.db2.gz PSERDIRPCILGCL-ZDUSSCGKSA-N 1 1 296.846 3.218 20 70 CGIDMO C[N@H+]1CCC[C@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@@H]21 ZINC000161306612 372316213 /nfs/dbraw/zinc/31/62/13/372316213.db2.gz VOWLTPNTNPWGNG-HOTGVXAUSA-N 1 1 292.467 3.146 20 70 CGIDMO Fc1cc(Cl)cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000161138444 372303582 /nfs/dbraw/zinc/30/35/82/372303582.db2.gz KHYBAZMFKJPFDC-MRXNPFEDSA-N 1 1 296.817 3.443 20 70 CGIDMO CCCn1nccc1C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000160059692 542152576 /nfs/dbraw/zinc/15/25/76/542152576.db2.gz FLPKVCQDHHRYOG-LBPRGKRZSA-N 1 1 291.370 3.292 20 70 CGIDMO C(CN1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000160592416 518385458 /nfs/dbraw/zinc/38/54/58/518385458.db2.gz KGLSXHAOSJMZPT-UHFFFAOYSA-N 1 1 250.430 3.127 20 70 CGIDMO CC(C)n1ccnc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000160875669 520030076 /nfs/dbraw/zinc/03/00/76/520030076.db2.gz VJJKBFZGSBCJSY-INIZCTEOSA-N 1 1 269.392 3.454 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160497885 522050316 /nfs/dbraw/zinc/05/03/16/522050316.db2.gz NGXFMCXJSYTORX-CYBMUJFWSA-N 1 1 268.445 3.001 20 70 CGIDMO COc1ccccc1C[N@@H+](C)CCCCn1ccnc1C ZINC000161280244 524434270 /nfs/dbraw/zinc/43/42/70/524434270.db2.gz LULHCWDUVAFXJA-UHFFFAOYSA-N 1 1 287.407 3.112 20 70 CGIDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000159981391 232242479 /nfs/dbraw/zinc/24/24/79/232242479.db2.gz PYUXLTSCNVWTBE-NVXWUHKLSA-N 1 1 261.409 3.245 20 70 CGIDMO CN(C)C1(C[NH2+]Cc2ccc(Cl)cc2F)CCCC1 ZINC000160880338 232247423 /nfs/dbraw/zinc/24/74/23/232247423.db2.gz URNJODVPOYQIEK-UHFFFAOYSA-N 1 1 284.806 3.443 20 70 CGIDMO Cc1ccc2nc(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)cn2c1 ZINC000160564501 346171601 /nfs/dbraw/zinc/17/16/01/346171601.db2.gz WHVHOVAVVOXSCQ-HOCLYGCPSA-N 1 1 269.392 3.407 20 70 CGIDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000217937499 346291570 /nfs/dbraw/zinc/29/15/70/346291570.db2.gz VVELMJUFCUENGZ-RHSMWYFYSA-N 1 1 286.419 3.271 20 70 CGIDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1O ZINC000159456264 372146400 /nfs/dbraw/zinc/14/64/00/372146400.db2.gz DHFSJQIXIRMVNH-CJNGLKHVSA-N 1 1 261.409 3.187 20 70 CGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159478006 372147512 /nfs/dbraw/zinc/14/75/12/372147512.db2.gz LGUMRMXDQZORHP-ZJUUUORDSA-N 1 1 261.287 3.079 20 70 CGIDMO NC(=O)[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000159546649 372154507 /nfs/dbraw/zinc/15/45/07/372154507.db2.gz ZIQLTHIQGKSDSV-SJORKVTESA-N 1 1 298.361 3.019 20 70 CGIDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cn1 ZINC000159711249 372171865 /nfs/dbraw/zinc/17/18/65/372171865.db2.gz PIIHAGSTGKNVLV-MRXNPFEDSA-N 1 1 283.375 3.131 20 70 CGIDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cn1 ZINC000159711249 372171877 /nfs/dbraw/zinc/17/18/77/372171877.db2.gz PIIHAGSTGKNVLV-MRXNPFEDSA-N 1 1 283.375 3.131 20 70 CGIDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159751743 372175293 /nfs/dbraw/zinc/17/52/93/372175293.db2.gz YABIXSGNFMXBEU-OCCSQVGLSA-N 1 1 287.325 3.298 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@](C)(CCC)C1 ZINC000160105206 372214857 /nfs/dbraw/zinc/21/48/57/372214857.db2.gz DIHZPBAWKKFLEX-MRXNPFEDSA-N 1 1 278.444 3.399 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000160105206 372214863 /nfs/dbraw/zinc/21/48/63/372214863.db2.gz DIHZPBAWKKFLEX-MRXNPFEDSA-N 1 1 278.444 3.399 20 70 CGIDMO CC[C@]1(C)C[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000160165821 372220917 /nfs/dbraw/zinc/22/09/17/372220917.db2.gz NBCCMSJCMOHLHE-SJLPKXTDSA-N 1 1 288.435 3.061 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)[nH]1 ZINC000160275488 372233811 /nfs/dbraw/zinc/23/38/11/372233811.db2.gz GLLVXLKFWBIASR-OAHLLOKOSA-N 1 1 290.798 3.261 20 70 CGIDMO CC(C)c1ccc(OCC[NH2+][C@H]2CCN(C)C[C@H]2C)cc1 ZINC000160333361 372239771 /nfs/dbraw/zinc/23/97/71/372239771.db2.gz JKUSHDYRQACIEL-QAPCUYQASA-N 1 1 290.451 3.119 20 70 CGIDMO c1oc2ccccc2c1CNC1CC[NH+](C2CC2)CC1 ZINC000159815579 372183002 /nfs/dbraw/zinc/18/30/02/372183002.db2.gz GFCMXMKHYWDVES-UHFFFAOYSA-N 1 1 270.376 3.149 20 70 CGIDMO c1coc([C@@H]2CCCCC[N@@H+]2CCn2ccnc2)c1 ZINC000159836829 372184531 /nfs/dbraw/zinc/18/45/31/372184531.db2.gz QWYOGCGNXHHIQQ-AWEZNQCLSA-N 1 1 259.353 3.093 20 70 CGIDMO CC[C@@H]1C[N@@H+](CCn2ccnc2)CC[C@@H]1c1ccccc1 ZINC000159865326 372188908 /nfs/dbraw/zinc/18/89/08/372188908.db2.gz FTOOSMOVMIVCDM-AEFFLSMTSA-N 1 1 283.419 3.399 20 70 CGIDMO COCCCCC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159870371 372189035 /nfs/dbraw/zinc/18/90/35/372189035.db2.gz YXCMOCDZYYBKKA-UHFFFAOYSA-N 1 1 264.413 3.001 20 70 CGIDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCc3ccccc32)C1 ZINC000161034513 372296516 /nfs/dbraw/zinc/29/65/16/372296516.db2.gz BOXOVJHDLKZTBA-ZMSDIMECSA-N 1 1 258.409 3.136 20 70 CGIDMO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161025250 372296663 /nfs/dbraw/zinc/29/66/63/372296663.db2.gz UKMFEVZJVVPEPG-QMTHXVAHSA-N 1 1 298.377 3.309 20 70 CGIDMO COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000161040675 372297425 /nfs/dbraw/zinc/29/74/25/372297425.db2.gz LVJSSZIPJCKBBH-HDMKZQKVSA-N 1 1 288.435 3.145 20 70 CGIDMO COc1ccccc1C[N@H+](C)Cc1cnc2cc(C)ccn12 ZINC000160418059 372245533 /nfs/dbraw/zinc/24/55/33/372245533.db2.gz NLCMLHDXTUZLFP-UHFFFAOYSA-N 1 1 295.386 3.283 20 70 CGIDMO COc1ccccc1C[N@@H+](C)Cc1cnc2cc(C)ccn12 ZINC000160418059 372245537 /nfs/dbraw/zinc/24/55/37/372245537.db2.gz NLCMLHDXTUZLFP-UHFFFAOYSA-N 1 1 295.386 3.283 20 70 CGIDMO CCC[N@@H+](Cc1cn(C)nc1C)Cc1ccccc1 ZINC000160474707 372249930 /nfs/dbraw/zinc/24/99/30/372249930.db2.gz PAMNQROIPZLXBU-UHFFFAOYSA-N 1 1 257.381 3.141 20 70 CGIDMO Cc1csc(CCCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)n1 ZINC000160668149 372266638 /nfs/dbraw/zinc/26/66/38/372266638.db2.gz TWJWHUUWELFZTQ-NWANDNLSSA-N 1 1 295.496 3.093 20 70 CGIDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(F)cc2)c1C ZINC000161145304 372305375 /nfs/dbraw/zinc/30/53/75/372305375.db2.gz GOWSJMKZVHUXRM-UHFFFAOYSA-N 1 1 275.371 3.291 20 70 CGIDMO CC[C@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)c1nccs1 ZINC000161175062 372307875 /nfs/dbraw/zinc/30/78/75/372307875.db2.gz MTTIKCFJBTYCNZ-STQMWFEESA-N 1 1 297.468 3.218 20 70 CGIDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000217679582 376180048 /nfs/dbraw/zinc/18/00/48/376180048.db2.gz NBWGACAECLZZGL-RCBQFDQVSA-N 1 1 262.372 3.103 20 70 CGIDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160774575 542156742 /nfs/dbraw/zinc/15/67/42/542156742.db2.gz RJRIDLRRQPUELS-YGRLFVJLSA-N 1 1 298.224 3.213 20 70 CGIDMO C[N@@H+](C[C@@H](O)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000160808708 542156508 /nfs/dbraw/zinc/15/65/08/542156508.db2.gz YKHHOTITQBAGSP-GOSISDBHSA-N 1 1 279.383 3.459 20 70 CGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359550 392584637 /nfs/dbraw/zinc/58/46/37/392584637.db2.gz UXPCPICRXBWRLF-KEYYUXOJSA-N 1 1 290.426 3.176 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNCc1cccc(OC(C)C)c1 ZINC000217395015 392993906 /nfs/dbraw/zinc/99/39/06/392993906.db2.gz NDOGJNGJDSQRHF-HNNXBMFYSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000217395015 392993913 /nfs/dbraw/zinc/99/39/13/392993913.db2.gz NDOGJNGJDSQRHF-HNNXBMFYSA-N 1 1 278.440 3.294 20 70 CGIDMO Cc1cc2c(cc1C)[C@H](NC1CC[NH+](C)CC1)CCCO2 ZINC000161479905 292010162 /nfs/dbraw/zinc/01/01/62/292010162.db2.gz DIHDOXMHYAYRCR-QGZVFWFLSA-N 1 1 288.435 3.201 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(OC(C)C)cc1 ZINC000217389453 270085217 /nfs/dbraw/zinc/08/52/17/270085217.db2.gz WMDUZPNULQCJFZ-HNNXBMFYSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000217389453 270085218 /nfs/dbraw/zinc/08/52/18/270085218.db2.gz WMDUZPNULQCJFZ-HNNXBMFYSA-N 1 1 278.440 3.294 20 70 CGIDMO CCOCCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000159425467 276314888 /nfs/dbraw/zinc/31/48/88/276314888.db2.gz SPZZGBSZPXJWRW-HNNXBMFYSA-N 1 1 283.799 3.140 20 70 CGIDMO CCOCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000159425467 276314889 /nfs/dbraw/zinc/31/48/89/276314889.db2.gz SPZZGBSZPXJWRW-HNNXBMFYSA-N 1 1 283.799 3.140 20 70 CGIDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000216859579 329307609 /nfs/dbraw/zinc/30/76/09/329307609.db2.gz LVXQLQLYPLWLCS-PBHICJAKSA-N 1 1 292.467 3.431 20 70 CGIDMO CCCO[C@H]1CCC[N@H+](CCCN2CCCCC2)CC1 ZINC000161026358 520285303 /nfs/dbraw/zinc/28/53/03/520285303.db2.gz GGUDAFMBVBCIMV-KRWDZBQOSA-N 1 1 282.472 3.144 20 70 CGIDMO CCCO[C@H]1CCC[N@@H+](CCCN2CCCCC2)CC1 ZINC000161026358 520285310 /nfs/dbraw/zinc/28/53/10/520285310.db2.gz GGUDAFMBVBCIMV-KRWDZBQOSA-N 1 1 282.472 3.144 20 70 CGIDMO C[C@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000160876044 525404385 /nfs/dbraw/zinc/40/43/85/525404385.db2.gz LCEKSWFGMVROKQ-GJZGRUSLSA-N 1 1 272.392 3.451 20 70 CGIDMO C[C@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000160876044 525404392 /nfs/dbraw/zinc/40/43/92/525404392.db2.gz LCEKSWFGMVROKQ-GJZGRUSLSA-N 1 1 272.392 3.451 20 70 CGIDMO CC(C)c1ccc(C[N@@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161147533 572883289 /nfs/dbraw/zinc/88/32/89/572883289.db2.gz BDRCVEPOPPRYTC-UHFFFAOYSA-N 1 1 297.464 3.067 20 70 CGIDMO O=C(CC/C=C/c1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000159487600 346168079 /nfs/dbraw/zinc/16/80/79/346168079.db2.gz FCUXPFYVHLLQLR-PYJQOMOHSA-N 1 1 298.430 3.081 20 70 CGIDMO Cc1nccn1CCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783068 372180173 /nfs/dbraw/zinc/18/01/73/372180173.db2.gz BSMVIEBNYCTMIF-KRWDZBQOSA-N 1 1 269.392 3.071 20 70 CGIDMO CC(C)[N@@H+](Cc1cc(C(N)=O)cs1)C1CCCCC1 ZINC000159772069 372177549 /nfs/dbraw/zinc/17/75/49/372177549.db2.gz LMLDHLRHLGCWFT-UHFFFAOYSA-N 1 1 280.437 3.390 20 70 CGIDMO CCc1nc(C)c([C@H](C)NCC[N@H+](C)[C@@H](C)CC)s1 ZINC000160063760 372208725 /nfs/dbraw/zinc/20/87/25/372208725.db2.gz BEJHYBTZCUTQLF-RYUDHWBXSA-N 1 1 283.485 3.395 20 70 CGIDMO CCc1nc(C)c([C@H](C)[NH2+]CCN(C)[C@@H](C)CC)s1 ZINC000160063760 372208735 /nfs/dbraw/zinc/20/87/35/372208735.db2.gz BEJHYBTZCUTQLF-RYUDHWBXSA-N 1 1 283.485 3.395 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](C)c2cccc3ccccc32)[nH]1 ZINC000160272722 372231781 /nfs/dbraw/zinc/23/17/81/372231781.db2.gz XWXGZKUGVMCHAH-GFCCVEGCSA-N 1 1 280.375 3.371 20 70 CGIDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(OC)cc2)n1 ZINC000159861302 372188515 /nfs/dbraw/zinc/18/85/15/372188515.db2.gz FHWSBNBLPDRGKT-UHFFFAOYSA-N 1 1 286.375 3.121 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000159978209 372199826 /nfs/dbraw/zinc/19/98/26/372199826.db2.gz NWHXHOSZWOAFIW-KBPBESRZSA-N 1 1 296.484 3.103 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000159978209 372199834 /nfs/dbraw/zinc/19/98/34/372199834.db2.gz NWHXHOSZWOAFIW-KBPBESRZSA-N 1 1 296.484 3.103 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](c2ccccc2C)C(C)C)[nH]1 ZINC000160425422 372246196 /nfs/dbraw/zinc/24/61/96/372246196.db2.gz ZFQGOORHHDXSEY-MRXNPFEDSA-N 1 1 272.396 3.162 20 70 CGIDMO CCCn1cc(C[N@H+](C)Cc2cccc(F)c2)cn1 ZINC000160463927 372249805 /nfs/dbraw/zinc/24/98/05/372249805.db2.gz DFUUDWMTMHHIME-UHFFFAOYSA-N 1 1 261.344 3.064 20 70 CGIDMO CCCn1cc(C[N@@H+](C)Cc2cccc(F)c2)cn1 ZINC000160463927 372249812 /nfs/dbraw/zinc/24/98/12/372249812.db2.gz DFUUDWMTMHHIME-UHFFFAOYSA-N 1 1 261.344 3.064 20 70 CGIDMO CCSCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000160574903 372259842 /nfs/dbraw/zinc/25/98/42/372259842.db2.gz GLKJVXXTXRQWDY-UHFFFAOYSA-N 1 1 298.427 3.228 20 70 CGIDMO Cc1ccc(C)c([C@H]2CCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC000160708029 372269884 /nfs/dbraw/zinc/26/98/84/372269884.db2.gz VLNCECZCBDPQGM-QGZVFWFLSA-N 1 1 288.435 3.307 20 70 CGIDMO c1ccc([C@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000161300013 372315845 /nfs/dbraw/zinc/31/58/45/372315845.db2.gz SMXZMWIAQGVZNB-SFHVURJKSA-N 1 1 272.436 3.352 20 70 CGIDMO c1ccc([C@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000161300013 372315850 /nfs/dbraw/zinc/31/58/50/372315850.db2.gz SMXZMWIAQGVZNB-SFHVURJKSA-N 1 1 272.436 3.352 20 70 CGIDMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216875866 376168335 /nfs/dbraw/zinc/16/83/35/376168335.db2.gz SFTOUFHEBXJTMI-TZMCWYRMSA-N 1 1 259.349 3.341 20 70 CGIDMO FC(F)(F)c1cccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217644019 376176147 /nfs/dbraw/zinc/17/61/47/376176147.db2.gz IZDOPOAWVGNWJP-GJZGRUSLSA-N 1 1 298.352 3.422 20 70 CGIDMO FC(F)(F)c1cccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000217644019 376176154 /nfs/dbraw/zinc/17/61/54/376176154.db2.gz IZDOPOAWVGNWJP-GJZGRUSLSA-N 1 1 298.352 3.422 20 70 CGIDMO COc1cc(C)ccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218130104 376184992 /nfs/dbraw/zinc/18/49/92/376184992.db2.gz JUXKBJODIHYYCZ-UAGQMJEPSA-N 1 1 288.435 3.281 20 70 CGIDMO COc1cc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000218230728 376187315 /nfs/dbraw/zinc/18/73/15/376187315.db2.gz IERJTQQBSFKHBI-MAZHCROVSA-N 1 1 292.398 3.112 20 70 CGIDMO COc1cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)ccc1F ZINC000218230728 376187323 /nfs/dbraw/zinc/18/73/23/376187323.db2.gz IERJTQQBSFKHBI-MAZHCROVSA-N 1 1 292.398 3.112 20 70 CGIDMO Cc1nc(C2([NH2+]CCCOC(C)C)CCCCCC2)no1 ZINC000159686541 293251531 /nfs/dbraw/zinc/25/15/31/293251531.db2.gz DVXAXBZZLOVLKJ-UHFFFAOYSA-N 1 1 295.427 3.332 20 70 CGIDMO Cc1noc(C)c1C[N@H+](CCc1nccs1)C(C)C ZINC000159838553 534352238 /nfs/dbraw/zinc/35/22/38/534352238.db2.gz YJVGFPYKNQCISS-UHFFFAOYSA-N 1 1 279.409 3.201 20 70 CGIDMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC000161447348 524038988 /nfs/dbraw/zinc/03/89/88/524038988.db2.gz DWQFSSQNMJAIFQ-UKRRQHHQSA-N 1 1 295.810 3.350 20 70 CGIDMO c1oc2ccccc2c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000161110291 572414100 /nfs/dbraw/zinc/41/41/00/572414100.db2.gz LEAQSKYLBXKSIV-YOEHRIQHSA-N 1 1 284.403 3.397 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)cc1OC ZINC000160136776 529689830 /nfs/dbraw/zinc/68/98/30/529689830.db2.gz CNUONRHGRRMYSV-KBPBESRZSA-N 1 1 294.439 3.085 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000160136776 529689831 /nfs/dbraw/zinc/68/98/31/529689831.db2.gz CNUONRHGRRMYSV-KBPBESRZSA-N 1 1 294.439 3.085 20 70 CGIDMO C[N@@H+](CCNCc1ccc(Cl)cc1F)C1CCCC1 ZINC000160822142 529917479 /nfs/dbraw/zinc/91/74/79/529917479.db2.gz PTBQRANIXMZNCE-UHFFFAOYSA-N 1 1 284.806 3.443 20 70 CGIDMO CC(C)Cc1noc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159582113 346167704 /nfs/dbraw/zinc/16/77/04/346167704.db2.gz WBBCNWOGKCZEED-STQMWFEESA-N 1 1 263.385 3.033 20 70 CGIDMO C[C@H](CNCc1cccc2cc[nH]c21)C[NH+]1CCCCC1 ZINC000218119608 138492404 /nfs/dbraw/zinc/49/24/04/138492404.db2.gz DOYKTYKAMLQDIE-OAHLLOKOSA-N 1 1 285.435 3.380 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CCCOC(C)C)n1 ZINC000159779780 372179890 /nfs/dbraw/zinc/17/98/90/372179890.db2.gz GJUPFSHPUVWLCB-MRXNPFEDSA-N 1 1 262.397 3.342 20 70 CGIDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000159551048 372153990 /nfs/dbraw/zinc/15/39/90/372153990.db2.gz ZRBVJNHBLCXATQ-HNNXBMFYSA-N 1 1 294.483 3.439 20 70 CGIDMO C[N@@H+](CCc1c(F)cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159590667 372158979 /nfs/dbraw/zinc/15/89/79/372158979.db2.gz NAMGFTUIAMHPBJ-ABAIWWIYSA-N 1 1 285.790 3.114 20 70 CGIDMO C[N@H+](Cc1ccc2ccccc2c1)[C@H](CN)C1CC1 ZINC000159759137 372176741 /nfs/dbraw/zinc/17/67/41/372176741.db2.gz DDINKPDVGBARGP-QGZVFWFLSA-N 1 1 254.377 3.009 20 70 CGIDMO C[N@@H+](Cc1ccc2ccccc2c1)[C@H](CN)C1CC1 ZINC000159759137 372176748 /nfs/dbraw/zinc/17/67/48/372176748.db2.gz DDINKPDVGBARGP-QGZVFWFLSA-N 1 1 254.377 3.009 20 70 CGIDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767801 372177963 /nfs/dbraw/zinc/17/79/63/372177963.db2.gz PBYQQYMIKQOYOK-CKEIUWERSA-N 1 1 278.415 3.077 20 70 CGIDMO CC1(C)CCC(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160083863 372210193 /nfs/dbraw/zinc/21/01/93/372210193.db2.gz MILZXVYURLWPKM-HNNXBMFYSA-N 1 1 292.467 3.336 20 70 CGIDMO CC[C@@]1(C)C[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000160165960 372219818 /nfs/dbraw/zinc/21/98/18/372219818.db2.gz NBCCMSJCMOHLHE-AEFFLSMTSA-N 1 1 288.435 3.061 20 70 CGIDMO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161041051 372297325 /nfs/dbraw/zinc/29/73/25/372297325.db2.gz LVJSSZIPJCKBBH-RVKKMQEKSA-N 1 1 288.435 3.145 20 70 CGIDMO COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161040800 372297380 /nfs/dbraw/zinc/29/73/80/372297380.db2.gz LVJSSZIPJCKBBH-RLFYNMQTSA-N 1 1 288.435 3.145 20 70 CGIDMO COc1ccnc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000160388778 372244198 /nfs/dbraw/zinc/24/41/98/372244198.db2.gz MCQAFMUTBJDSJF-QGZVFWFLSA-N 1 1 283.375 3.131 20 70 CGIDMO COc1ccnc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000160388778 372244205 /nfs/dbraw/zinc/24/42/05/372244205.db2.gz MCQAFMUTBJDSJF-QGZVFWFLSA-N 1 1 283.375 3.131 20 70 CGIDMO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1cncs1 ZINC000160399934 372244726 /nfs/dbraw/zinc/24/47/26/372244726.db2.gz DFBNFTWJTUHQSE-JSGCOSHPSA-N 1 1 281.469 3.304 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000160422331 372245798 /nfs/dbraw/zinc/24/57/98/372245798.db2.gz IEDWPNDTUWYAAH-MRXNPFEDSA-N 1 1 299.418 3.018 20 70 CGIDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160817414 372279296 /nfs/dbraw/zinc/27/92/96/372279296.db2.gz DIMDMRUWEPYQRJ-OAHLLOKOSA-N 1 1 294.483 3.393 20 70 CGIDMO C[C@@H](CN[C@@H](C)c1cncs1)[N@@H+](C)Cc1ccccc1 ZINC000160862018 372284238 /nfs/dbraw/zinc/28/42/38/372284238.db2.gz DRPAJBUKHALZNH-KBPBESRZSA-N 1 1 289.448 3.314 20 70 CGIDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)c1nccs1 ZINC000161175185 321864162 /nfs/dbraw/zinc/86/41/62/321864162.db2.gz MTTIKCFJBTYCNZ-QWHCGFSZSA-N 1 1 297.468 3.218 20 70 CGIDMO Cc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218129288 376184968 /nfs/dbraw/zinc/18/49/68/376184968.db2.gz GRDZHIMHAJTXTR-IRXDYDNUSA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1C ZINC000218129288 376184974 /nfs/dbraw/zinc/18/49/74/376184974.db2.gz GRDZHIMHAJTXTR-IRXDYDNUSA-N 1 1 258.409 3.020 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCc2ccc(F)cc21 ZINC000160112072 542152798 /nfs/dbraw/zinc/15/27/98/542152798.db2.gz FERMXAPMNNCQQN-MLGOLLRUSA-N 1 1 264.388 3.133 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000160112072 542152799 /nfs/dbraw/zinc/15/27/99/542152799.db2.gz FERMXAPMNNCQQN-MLGOLLRUSA-N 1 1 264.388 3.133 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](CC(C)C)c1ccccn1 ZINC000160064799 392580599 /nfs/dbraw/zinc/58/05/99/392580599.db2.gz YVKNTNYZBIPXCX-RDJZCZTQSA-N 1 1 277.456 3.489 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000160064799 392580602 /nfs/dbraw/zinc/58/06/02/392580602.db2.gz YVKNTNYZBIPXCX-RDJZCZTQSA-N 1 1 277.456 3.489 20 70 CGIDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC2CCCC2)C[C@@H](C)O1 ZINC000159637739 392580651 /nfs/dbraw/zinc/58/06/51/392580651.db2.gz FKKDDIHVPQFLIU-NUJGCVRESA-N 1 1 294.483 3.140 20 70 CGIDMO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659843 392995008 /nfs/dbraw/zinc/99/50/08/392995008.db2.gz CULWOIYAUWPDEH-BZSNNMDCSA-N 1 1 288.435 3.363 20 70 CGIDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659843 392995010 /nfs/dbraw/zinc/99/50/10/392995010.db2.gz CULWOIYAUWPDEH-BZSNNMDCSA-N 1 1 288.435 3.363 20 70 CGIDMO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000217727209 270085211 /nfs/dbraw/zinc/08/52/11/270085211.db2.gz FTISYVBWNJAWQR-UKRRQHHQSA-N 1 1 275.392 3.206 20 70 CGIDMO CCC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CC1 ZINC000217200412 270085359 /nfs/dbraw/zinc/08/53/59/270085359.db2.gz JEMCQWUWHDNCMA-GOEBONIOSA-N 1 1 280.456 3.146 20 70 CGIDMO CCC[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000160361388 519850964 /nfs/dbraw/zinc/85/09/64/519850964.db2.gz YRVKHQIPJNQVPQ-UHFFFAOYSA-N 1 1 298.789 3.037 20 70 CGIDMO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159533974 372152441 /nfs/dbraw/zinc/15/24/41/372152441.db2.gz JVFHLQNGMMCJHH-MNOVXSKESA-N 1 1 298.377 3.309 20 70 CGIDMO CC(C)CCc1nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159767071 372177592 /nfs/dbraw/zinc/17/75/92/372177592.db2.gz ZRYXSXCWRVETGR-HIFRSBDPSA-N 1 1 296.480 3.325 20 70 CGIDMO CC(C)CCc1nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159767071 372177597 /nfs/dbraw/zinc/17/75/97/372177597.db2.gz ZRYXSXCWRVETGR-HIFRSBDPSA-N 1 1 296.480 3.325 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccnc1Cl ZINC000160084487 372210757 /nfs/dbraw/zinc/21/07/57/372210757.db2.gz OOJJWFFSVGMKGE-RYUDHWBXSA-N 1 1 269.820 3.116 20 70 CGIDMO CCc1ccc([C@@H](C)NCC[N@H+](C)[C@@H](C)CC)o1 ZINC000160151854 372217826 /nfs/dbraw/zinc/21/78/26/372217826.db2.gz BFPGGAYQOHXYJC-QWHCGFSZSA-N 1 1 252.402 3.223 20 70 CGIDMO CCCC[N@@H+](C)CCNC(=O)CC/C=C/c1ccccc1 ZINC000159948839 372197683 /nfs/dbraw/zinc/19/76/83/372197683.db2.gz PNJGPZZWZOCCAN-XYOKQWHBSA-N 1 1 288.435 3.328 20 70 CGIDMO COc1ccccc1C[N@H+](C)Cc1ccccc1NC(C)=O ZINC000160424352 372245846 /nfs/dbraw/zinc/24/58/46/372245846.db2.gz FXEHRLKTYBOGNM-UHFFFAOYSA-N 1 1 298.386 3.286 20 70 CGIDMO COc1ccccc1C[N@@H+](C)Cc1ccccc1NC(C)=O ZINC000160424352 372245848 /nfs/dbraw/zinc/24/58/48/372245848.db2.gz FXEHRLKTYBOGNM-UHFFFAOYSA-N 1 1 298.386 3.286 20 70 CGIDMO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(F)c1 ZINC000160473020 372249980 /nfs/dbraw/zinc/24/99/80/372249980.db2.gz FBOMHZMKSMKRKO-UHFFFAOYSA-N 1 1 275.371 3.409 20 70 CGIDMO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(F)c1 ZINC000160473020 372249988 /nfs/dbraw/zinc/24/99/88/372249988.db2.gz FBOMHZMKSMKRKO-UHFFFAOYSA-N 1 1 275.371 3.409 20 70 CGIDMO CCn1nccc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000160809180 372277730 /nfs/dbraw/zinc/27/77/30/372277730.db2.gz NGBOWGRTWZCEOR-UHFFFAOYSA-N 1 1 263.772 3.188 20 70 CGIDMO CCn1nccc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000160809180 372277733 /nfs/dbraw/zinc/27/77/33/372277733.db2.gz NGBOWGRTWZCEOR-UHFFFAOYSA-N 1 1 263.772 3.188 20 70 CGIDMO CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000161145749 372305692 /nfs/dbraw/zinc/30/56/92/372305692.db2.gz AZRKQOHHWOZCPO-UHFFFAOYSA-N 1 1 286.350 3.416 20 70 CGIDMO Cc1cc(C)n2c(C[N@@H+](C)Cc3ccc(F)cc3)cnc2n1 ZINC000161146823 372306335 /nfs/dbraw/zinc/30/63/35/372306335.db2.gz GQKAHZQUDJLLPB-UHFFFAOYSA-N 1 1 298.365 3.117 20 70 CGIDMO Cc1cc(C)n2c(C[N@H+](C)Cc3ccc(F)cc3)cnc2n1 ZINC000161146823 372306337 /nfs/dbraw/zinc/30/63/37/372306337.db2.gz GQKAHZQUDJLLPB-UHFFFAOYSA-N 1 1 298.365 3.117 20 70 CGIDMO CCN1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000161355483 372317956 /nfs/dbraw/zinc/31/79/56/372317956.db2.gz HPEVQKMFMMOKSM-PBHICJAKSA-N 1 1 290.426 3.177 20 70 CGIDMO CC(C)Oc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000218117126 376185310 /nfs/dbraw/zinc/18/53/10/376185310.db2.gz QVMRBZNTWHHGBZ-ROUUACIJSA-N 1 1 288.435 3.190 20 70 CGIDMO CC(C)Oc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000218117126 376185315 /nfs/dbraw/zinc/18/53/15/376185315.db2.gz QVMRBZNTWHHGBZ-ROUUACIJSA-N 1 1 288.435 3.190 20 70 CGIDMO CC[N@H+](Cc1ccoc1)Cc1c(C)nc2ccccn21 ZINC000159561342 542149622 /nfs/dbraw/zinc/14/96/22/542149622.db2.gz PWBSEFOJWXDDPV-UHFFFAOYSA-N 1 1 269.348 3.258 20 70 CGIDMO CC[N@@H+](Cc1ccoc1)Cc1c(C)nc2ccccn21 ZINC000159561342 542149626 /nfs/dbraw/zinc/14/96/26/542149626.db2.gz PWBSEFOJWXDDPV-UHFFFAOYSA-N 1 1 269.348 3.258 20 70 CGIDMO CC[C@@H]([NH2+][C@H](C)C(=O)NCC(C)C)c1ccc(F)cc1F ZINC000161014861 321861347 /nfs/dbraw/zinc/86/13/47/321861347.db2.gz CIDJTGXCMYSNEN-IAQYHMDHSA-N 1 1 298.377 3.166 20 70 CGIDMO C[C@@H](C[NH+]1CCCCC1)NCc1cc(F)cc(Cl)c1 ZINC000160887399 533821538 /nfs/dbraw/zinc/82/15/38/533821538.db2.gz SSZVSMOFDOHXKW-LBPRGKRZSA-N 1 1 284.806 3.443 20 70 CGIDMO C[N@@H+](CC1CC1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159388394 522633512 /nfs/dbraw/zinc/63/35/12/522633512.db2.gz VQJRVEMHSYMNIN-OAHLLOKOSA-N 1 1 292.810 3.177 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000160408433 282090128 /nfs/dbraw/zinc/09/01/28/282090128.db2.gz DSDYUBKSXXZUMG-OAHLLOKOSA-N 1 1 295.390 3.093 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(C)ccc1OC ZINC000160092702 529689905 /nfs/dbraw/zinc/68/99/05/529689905.db2.gz YYMGHTFTTKIXJO-GJZGRUSLSA-N 1 1 278.440 3.385 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000160092702 529689906 /nfs/dbraw/zinc/68/99/06/529689906.db2.gz YYMGHTFTTKIXJO-GJZGRUSLSA-N 1 1 278.440 3.385 20 70 CGIDMO C[C@H](C1CC1)[N@@H+](CCCN1CCCCC1)C1CC1 ZINC000160578418 232245263 /nfs/dbraw/zinc/24/52/63/232245263.db2.gz CAADLFTYEXUTND-CQSZACIVSA-N 1 1 250.430 3.125 20 70 CGIDMO COc1cccc(CCC[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000159536509 346167597 /nfs/dbraw/zinc/16/75/97/346167597.db2.gz AVUPPYLGXRSSII-KRWDZBQOSA-N 1 1 277.408 3.129 20 70 CGIDMO Cc1cccc2nc(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)cn21 ZINC000159732418 346168387 /nfs/dbraw/zinc/16/83/87/346168387.db2.gz QELMOJQBDMZRGN-HOCLYGCPSA-N 1 1 269.392 3.407 20 70 CGIDMO NC(=O)[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000159546931 283314168 /nfs/dbraw/zinc/31/41/68/283314168.db2.gz ZIQLTHIQGKSDSV-IRXDYDNUSA-N 1 1 298.361 3.019 20 70 CGIDMO CCOCCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000159366284 372136480 /nfs/dbraw/zinc/13/64/80/372136480.db2.gz IIACLUWEBSKXDM-LLVKDONJSA-N 1 1 257.324 3.384 20 70 CGIDMO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000159364771 372136542 /nfs/dbraw/zinc/13/65/42/372136542.db2.gz ZQPMQGGDAVNWOC-ZDUSSCGKSA-N 1 1 256.349 3.249 20 70 CGIDMO FC(F)n1ccnc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159596107 372159866 /nfs/dbraw/zinc/15/98/66/372159866.db2.gz BCQVJHDHEVNGKF-QWRGUYRKSA-N 1 1 255.312 3.043 20 70 CGIDMO CC[N@H+]1CC[C@H](N(C)c2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159623978 372162505 /nfs/dbraw/zinc/16/25/05/372162505.db2.gz DBVYQEKDSRCQCF-NEPJUHHUSA-N 1 1 296.484 3.002 20 70 CGIDMO CC1(C)Cc2cccc(C[N@H+]3CCCC[C@@H]3CCO)c2O1 ZINC000159720151 372171675 /nfs/dbraw/zinc/17/16/75/372171675.db2.gz MSTYRFMFDMFMLK-MRXNPFEDSA-N 1 1 289.419 3.137 20 70 CGIDMO CC[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000159749667 372176209 /nfs/dbraw/zinc/17/62/09/372176209.db2.gz JCSDLHQDZNKTPA-UHFFFAOYSA-N 1 1 263.772 3.059 20 70 CGIDMO Cc1cc2ccccc2nc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160245759 372229081 /nfs/dbraw/zinc/22/90/81/372229081.db2.gz DJIHPHSCTBATIJ-UKRRQHHQSA-N 1 1 269.392 3.438 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000160291725 372235888 /nfs/dbraw/zinc/23/58/88/372235888.db2.gz IPCOPHYWFSVDKR-SECBINFHSA-N 1 1 298.312 3.237 20 70 CGIDMO Cc1ccc([C@H]2CCCCC[N@H+]2CCn2ccnc2)o1 ZINC000159844429 372186801 /nfs/dbraw/zinc/18/68/01/372186801.db2.gz BGGZFESWNXZNPX-OAHLLOKOSA-N 1 1 273.380 3.402 20 70 CGIDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CCn2ccnc2)o1 ZINC000159844316 372187664 /nfs/dbraw/zinc/18/76/64/372187664.db2.gz BGGZFESWNXZNPX-HNNXBMFYSA-N 1 1 273.380 3.402 20 70 CGIDMO CCC[N@@H+](CCCOCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000159954745 372197721 /nfs/dbraw/zinc/19/77/21/372197721.db2.gz AOTODQCXEQGFTI-OAHLLOKOSA-N 1 1 292.423 3.152 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000159978077 372200689 /nfs/dbraw/zinc/20/06/89/372200689.db2.gz NWHXHOSZWOAFIW-KGLIPLIRSA-N 1 1 296.484 3.103 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000159978077 372200698 /nfs/dbraw/zinc/20/06/98/372200698.db2.gz NWHXHOSZWOAFIW-KGLIPLIRSA-N 1 1 296.484 3.103 20 70 CGIDMO CC[C@H](SCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000160034369 372204999 /nfs/dbraw/zinc/20/49/99/372204999.db2.gz PICZZHCCJBLRNJ-HNNXBMFYSA-N 1 1 283.412 3.342 20 70 CGIDMO C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCc2ccccc2C1 ZINC000160416914 372245480 /nfs/dbraw/zinc/24/54/80/372245480.db2.gz QZPNTHWDFYLTOK-KRWDZBQOSA-N 1 1 291.398 3.324 20 70 CGIDMO Cc1cc(C)n2c(C[N@@H+](C)Cc3cccc(F)c3)cnc2n1 ZINC000160464082 372249611 /nfs/dbraw/zinc/24/96/11/372249611.db2.gz MSDORVRCMJGPLX-UHFFFAOYSA-N 1 1 298.365 3.117 20 70 CGIDMO Cc1cc(C)n2c(C[N@H+](C)Cc3cccc(F)c3)cnc2n1 ZINC000160464082 372249618 /nfs/dbraw/zinc/24/96/18/372249618.db2.gz MSDORVRCMJGPLX-UHFFFAOYSA-N 1 1 298.365 3.117 20 70 CGIDMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000160814247 372278030 /nfs/dbraw/zinc/27/80/30/372278030.db2.gz YNGMOFCIWXUJIS-UHFFFAOYSA-N 1 1 263.772 3.312 20 70 CGIDMO Fc1cc(Cl)cc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000160854596 372281235 /nfs/dbraw/zinc/28/12/35/372281235.db2.gz ARXZNLDXHZWMDA-HUUCEWRRSA-N 1 1 282.790 3.196 20 70 CGIDMO Fc1cc(Cl)cc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000160854596 372281240 /nfs/dbraw/zinc/28/12/40/372281240.db2.gz ARXZNLDXHZWMDA-HUUCEWRRSA-N 1 1 282.790 3.196 20 70 CGIDMO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111476 372302453 /nfs/dbraw/zinc/30/24/53/372302453.db2.gz LWCZMMHXEYBBES-WQVCFCJDSA-N 1 1 264.388 3.349 20 70 CGIDMO C[N@H+](Cc1cccc(Cl)c1)CC1=CCCOC1 ZINC000161133859 372304345 /nfs/dbraw/zinc/30/43/45/372304345.db2.gz GTFMFALJPGSWMR-UHFFFAOYSA-N 1 1 251.757 3.119 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNc1nc2ccccc2s1 ZINC000217366004 376172722 /nfs/dbraw/zinc/17/27/22/376172722.db2.gz YVOGEXMUXZHCHU-NSHDSACASA-N 1 1 263.410 3.439 20 70 CGIDMO Cc1ccccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217675296 376176408 /nfs/dbraw/zinc/17/64/08/376176408.db2.gz SRZUNUYAHIYJPN-XIRDDKMYSA-N 1 1 258.409 3.272 20 70 CGIDMO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217675296 376176412 /nfs/dbraw/zinc/17/64/12/376176412.db2.gz SRZUNUYAHIYJPN-XIRDDKMYSA-N 1 1 258.409 3.272 20 70 CGIDMO CCN(CC[NH2+][C@@H](C)c1cscn1)C(=O)OC(C)(C)C ZINC000218240374 376187211 /nfs/dbraw/zinc/18/72/11/376187211.db2.gz ISVTUSRMPJZKEI-NSHDSACASA-N 1 1 299.440 3.051 20 70 CGIDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160868149 542156313 /nfs/dbraw/zinc/15/63/13/542156313.db2.gz PPMOFXBYUXIAKP-YGRLFVJLSA-N 1 1 253.773 3.104 20 70 CGIDMO CC[N@H+]1CCCN(C(=O)NC(CC(C)C)CC(C)C)CC1 ZINC000159819757 285209121 /nfs/dbraw/zinc/20/91/21/285209121.db2.gz BDZUEOJDKZODJB-UHFFFAOYSA-N 1 1 297.487 3.184 20 70 CGIDMO COC(=O)CCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000217223734 392994625 /nfs/dbraw/zinc/99/46/25/392994625.db2.gz JUTFOXNJCPJYDA-CQSZACIVSA-N 1 1 295.810 3.300 20 70 CGIDMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000217237932 392995084 /nfs/dbraw/zinc/99/50/84/392995084.db2.gz GKTANAVMOBXBAI-YOEHRIQHSA-N 1 1 292.398 3.125 20 70 CGIDMO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1cncc(F)c1 ZINC000160412595 287030728 /nfs/dbraw/zinc/03/07/28/287030728.db2.gz IHODBVOJARANFT-DYVFJYSZSA-N 1 1 293.430 3.382 20 70 CGIDMO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cnccn1 ZINC000161279597 274529035 /nfs/dbraw/zinc/52/90/35/274529035.db2.gz YCLLNLXLOUJZHN-GWCFXTLKSA-N 1 1 289.766 3.304 20 70 CGIDMO CC(C)OCCC[N@@H+](CCc1nccs1)C(C)C ZINC000159831538 527937800 /nfs/dbraw/zinc/93/78/00/527937800.db2.gz ONCGAKBMADIXCR-UHFFFAOYSA-N 1 1 270.442 3.211 20 70 CGIDMO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159424866 321834803 /nfs/dbraw/zinc/83/48/03/321834803.db2.gz SRMHIJJZWCQBOE-GHMZBOCLSA-N 1 1 298.377 3.309 20 70 CGIDMO CCC[N@H+]1CCCN(C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000160391020 519850915 /nfs/dbraw/zinc/85/09/15/519850915.db2.gz MSFCQRLWHBAORO-UHFFFAOYSA-N 1 1 299.418 3.034 20 70 CGIDMO COc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112660 525164580 /nfs/dbraw/zinc/16/45/80/525164580.db2.gz RSAOBSSNCRNSLX-KBMXLJTQSA-N 1 1 276.424 3.219 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000160878718 527178118 /nfs/dbraw/zinc/17/81/18/527178118.db2.gz QMSXHZACWIOBED-OAHLLOKOSA-N 1 1 289.448 3.216 20 70 CGIDMO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccco2)c1 ZINC000160628658 528464059 /nfs/dbraw/zinc/46/40/59/528464059.db2.gz UDIBBVNYYLOVEZ-ZDUSSCGKSA-N 1 1 286.375 3.270 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000160424273 528661645 /nfs/dbraw/zinc/66/16/45/528661645.db2.gz YSUXPNRGPXXYEB-HNNXBMFYSA-N 1 1 263.381 3.259 20 70 CGIDMO c1oc2ccccc2c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000161110422 572337767 /nfs/dbraw/zinc/33/77/67/572337767.db2.gz LEAQSKYLBXKSIV-PBHICJAKSA-N 1 1 284.403 3.397 20 70 CGIDMO C[C@H](C[NH+]1CCCCC1)NCc1cc(F)cc(Cl)c1 ZINC000160887547 232248105 /nfs/dbraw/zinc/24/81/05/232248105.db2.gz SSZVSMOFDOHXKW-GFCCVEGCSA-N 1 1 284.806 3.443 20 70 CGIDMO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CC1CC1 ZINC000159389156 372137256 /nfs/dbraw/zinc/13/72/56/372137256.db2.gz URPMBBXIBMMYHV-GFCCVEGCSA-N 1 1 271.364 3.063 20 70 CGIDMO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CC1CC1 ZINC000159389156 372137264 /nfs/dbraw/zinc/13/72/64/372137264.db2.gz URPMBBXIBMMYHV-GFCCVEGCSA-N 1 1 271.364 3.063 20 70 CGIDMO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159533130 372152073 /nfs/dbraw/zinc/15/20/73/372152073.db2.gz NSQWOKIPXBAADP-RYUDHWBXSA-N 1 1 298.377 3.310 20 70 CGIDMO Cc1ccccc1CCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159552818 372155225 /nfs/dbraw/zinc/15/52/25/372155225.db2.gz CWHDWJHRDVDHIW-SJORKVTESA-N 1 1 261.409 3.020 20 70 CGIDMO C[C@H](c1cccc(F)c1)[N@@H+](C)CCOCC1CC1 ZINC000159768525 372177498 /nfs/dbraw/zinc/17/74/98/372177498.db2.gz NHYOPQNDOHSOLS-GFCCVEGCSA-N 1 1 251.345 3.245 20 70 CGIDMO Cc1ccccc1[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159772157 372177973 /nfs/dbraw/zinc/17/79/73/372177973.db2.gz QNKDWOZKUJQEJX-CQSZACIVSA-N 1 1 265.422 3.121 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCn2ccnc2)c1 ZINC000159769677 372178124 /nfs/dbraw/zinc/17/81/24/372178124.db2.gz QCTJTFGOBSFXSR-INIZCTEOSA-N 1 1 255.365 3.029 20 70 CGIDMO CC(C)Oc1ccccc1CSCC[NH+]1CCOCC1 ZINC000159777158 372179609 /nfs/dbraw/zinc/17/96/09/372179609.db2.gz BMINQSGOKXHMPE-UHFFFAOYSA-N 1 1 295.448 3.039 20 70 CGIDMO CCc1nc2c(s1)[C@H](NCC[N@H+](C)[C@@H](C)CC)CCC2 ZINC000160106648 372213951 /nfs/dbraw/zinc/21/39/51/372213951.db2.gz LYIZSKMOBMHBLG-QWHCGFSZSA-N 1 1 295.496 3.403 20 70 CGIDMO CCc1nc2c(s1)[C@H]([NH2+]CCN(C)[C@@H](C)CC)CCC2 ZINC000160106648 372213959 /nfs/dbraw/zinc/21/39/59/372213959.db2.gz LYIZSKMOBMHBLG-QWHCGFSZSA-N 1 1 295.496 3.403 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cnc3ccc(C)cn23)cc1 ZINC000159875201 372190162 /nfs/dbraw/zinc/19/01/62/372190162.db2.gz FWIUMJQCSBJPHE-UHFFFAOYSA-N 1 1 295.386 3.283 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)n1 ZINC000159884935 372190679 /nfs/dbraw/zinc/19/06/79/372190679.db2.gz IQQMMLMEJFQSBF-KRWDZBQOSA-N 1 1 292.386 3.375 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cn3ccccc3n2)n1 ZINC000159884935 372190687 /nfs/dbraw/zinc/19/06/87/372190687.db2.gz IQQMMLMEJFQSBF-KRWDZBQOSA-N 1 1 292.386 3.375 20 70 CGIDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccccc1C ZINC000160530396 372255756 /nfs/dbraw/zinc/25/57/56/372255756.db2.gz NLWCJSMZGMRAFC-UHFFFAOYSA-N 1 1 285.435 3.485 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000160599621 372261419 /nfs/dbraw/zinc/26/14/19/372261419.db2.gz VCYLUQRVWHMGJP-NEPJUHHUSA-N 1 1 297.830 3.430 20 70 CGIDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccn(C)c1 ZINC000160738179 372271838 /nfs/dbraw/zinc/27/18/38/372271838.db2.gz FPASGPSIOXMTOT-UHFFFAOYSA-N 1 1 299.418 3.184 20 70 CGIDMO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000161433818 372322983 /nfs/dbraw/zinc/32/29/83/372322983.db2.gz LHUBTFIMHASTON-VXGBXAGGSA-N 1 1 265.401 3.426 20 70 CGIDMO c1ccc2sc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000217361321 376172384 /nfs/dbraw/zinc/17/23/84/376172384.db2.gz SYTHGFNAZHNRLW-YPMHNXCESA-N 1 1 273.405 3.335 20 70 CGIDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696621 376179367 /nfs/dbraw/zinc/17/93/67/376179367.db2.gz AUDJPNAJVXHOJZ-RCBQFDQVSA-N 1 1 262.372 3.103 20 70 CGIDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696621 376179376 /nfs/dbraw/zinc/17/93/76/376179376.db2.gz AUDJPNAJVXHOJZ-RCBQFDQVSA-N 1 1 262.372 3.103 20 70 CGIDMO CC(C)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)N1CCCC1 ZINC000218100486 376184687 /nfs/dbraw/zinc/18/46/87/376184687.db2.gz IMEVKEJHDOLXCB-QGZVFWFLSA-N 1 1 285.435 3.378 20 70 CGIDMO Cc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639913 392994491 /nfs/dbraw/zinc/99/44/91/392994491.db2.gz BIRAQLCPVXAGPZ-IRXDYDNUSA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c(C)c1 ZINC000217639913 392994496 /nfs/dbraw/zinc/99/44/96/392994496.db2.gz BIRAQLCPVXAGPZ-IRXDYDNUSA-N 1 1 258.409 3.020 20 70 CGIDMO FC(F)(F)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654573 392994916 /nfs/dbraw/zinc/99/49/16/392994916.db2.gz VJSSOMRHRWVQMD-GJZGRUSLSA-N 1 1 298.352 3.422 20 70 CGIDMO FC(F)(F)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217654573 392994923 /nfs/dbraw/zinc/99/49/23/392994923.db2.gz VJSSOMRHRWVQMD-GJZGRUSLSA-N 1 1 298.352 3.422 20 70 CGIDMO C[N@@H+](C[C@H](O)Cc1ccccc1)C1CCCCCC1 ZINC000218770687 270085641 /nfs/dbraw/zinc/08/56/41/270085641.db2.gz SXRKMLLXHLWLBV-QGZVFWFLSA-N 1 1 261.409 3.245 20 70 CGIDMO c1csc([C@@H]([NH2+]CCOCC2CC2)c2ccccc2)n1 ZINC000159821914 321841164 /nfs/dbraw/zinc/84/11/64/321841164.db2.gz VARXBBJZMRAYFX-HNNXBMFYSA-N 1 1 288.416 3.249 20 70 CGIDMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000160730327 527376108 /nfs/dbraw/zinc/37/61/08/527376108.db2.gz RUIDTSYEFDBSBB-GXTWGEPZSA-N 1 1 298.390 3.341 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(C)ccc1OC ZINC000160092567 529343834 /nfs/dbraw/zinc/34/38/34/529343834.db2.gz YYMGHTFTTKIXJO-CABCVRRESA-N 1 1 278.440 3.385 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000160092567 529343836 /nfs/dbraw/zinc/34/38/36/529343836.db2.gz YYMGHTFTTKIXJO-CABCVRRESA-N 1 1 278.440 3.385 20 70 CGIDMO Cc1ccc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)nc1 ZINC000159364095 372135669 /nfs/dbraw/zinc/13/56/69/372135669.db2.gz JSANUYKJLKRKRB-UHFFFAOYSA-N 1 1 297.446 3.390 20 70 CGIDMO Cc1ccc(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)nc1 ZINC000159364095 372135674 /nfs/dbraw/zinc/13/56/74/372135674.db2.gz JSANUYKJLKRKRB-UHFFFAOYSA-N 1 1 297.446 3.390 20 70 CGIDMO C[N@@H+](Cc1csc(C2CCCC2)n1)C[C@H]1CCC[C@@H]1O ZINC000159696011 372169737 /nfs/dbraw/zinc/16/97/37/372169737.db2.gz CYFYVARMUUHJIW-HIFRSBDPSA-N 1 1 294.464 3.394 20 70 CGIDMO C[N@H+](Cc1csc(C2CCCC2)n1)C[C@H]1CCC[C@@H]1O ZINC000159696011 372169741 /nfs/dbraw/zinc/16/97/41/372169741.db2.gz CYFYVARMUUHJIW-HIFRSBDPSA-N 1 1 294.464 3.394 20 70 CGIDMO c1cc2c(cc1C[N@H+]1CC[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000159702224 372171601 /nfs/dbraw/zinc/17/16/01/372171601.db2.gz ARNNIEVNGIZGGD-GJZGRUSLSA-N 1 1 273.376 3.222 20 70 CGIDMO C[N@@H+](CCn1ccnc1)Cc1cccc2ccccc21 ZINC000159757279 372175376 /nfs/dbraw/zinc/17/53/76/372175376.db2.gz KAZINNJLYJRPFD-UHFFFAOYSA-N 1 1 265.360 3.168 20 70 CGIDMO CC(C)[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000159750015 372175570 /nfs/dbraw/zinc/17/55/70/372175570.db2.gz HRTARPALHGGDNT-UHFFFAOYSA-N 1 1 277.799 3.447 20 70 CGIDMO Cc1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)nc1 ZINC000160328110 372239961 /nfs/dbraw/zinc/23/99/61/372239961.db2.gz JWSQGCXBBBKZMT-UHFFFAOYSA-N 1 1 274.339 3.040 20 70 CGIDMO CCC[N@@H+](CCCOCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159954607 372198608 /nfs/dbraw/zinc/19/86/08/372198608.db2.gz AOTODQCXEQGFTI-HNNXBMFYSA-N 1 1 292.423 3.152 20 70 CGIDMO C[C@@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)CCN1C ZINC000160475748 372249777 /nfs/dbraw/zinc/24/97/77/372249777.db2.gz OMWSFKPFOYIPRP-HUUCEWRRSA-N 1 1 290.476 3.384 20 70 CGIDMO CCC[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1 ZINC000160475863 372250566 /nfs/dbraw/zinc/25/05/66/372250566.db2.gz UREVPPOVRRJWEJ-UHFFFAOYSA-N 1 1 280.375 3.142 20 70 CGIDMO c1nc2ccccn2c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000160594407 372261490 /nfs/dbraw/zinc/26/14/90/372261490.db2.gz AAWGCCBWKQVZHT-QGZVFWFLSA-N 1 1 291.398 3.399 20 70 CGIDMO C[C@@H]1C[C@H](NCCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811218 372276676 /nfs/dbraw/zinc/27/66/76/372276676.db2.gz HWCOVEHGGDJEHN-NVXWUHKLSA-N 1 1 298.430 3.291 20 70 CGIDMO C[C@@H]1C[C@H](NCCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811218 372276681 /nfs/dbraw/zinc/27/66/81/372276681.db2.gz HWCOVEHGGDJEHN-NVXWUHKLSA-N 1 1 298.430 3.291 20 70 CGIDMO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000160808106 372277661 /nfs/dbraw/zinc/27/76/61/372277661.db2.gz DPDSYGLZPOUGKA-INIZCTEOSA-N 1 1 298.434 3.450 20 70 CGIDMO Cn1cnnc1C[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000160808106 372277664 /nfs/dbraw/zinc/27/76/64/372277664.db2.gz DPDSYGLZPOUGKA-INIZCTEOSA-N 1 1 298.434 3.450 20 70 CGIDMO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000160843143 372280955 /nfs/dbraw/zinc/28/09/55/372280955.db2.gz RTHCVQZEDRLDDP-QGZVFWFLSA-N 1 1 292.386 3.305 20 70 CGIDMO Fc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000160892040 372285982 /nfs/dbraw/zinc/28/59/82/372285982.db2.gz FFVZMEULRWDXRV-NSHDSACASA-N 1 1 282.790 3.053 20 70 CGIDMO Fc1cc(Cl)cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160892040 372285987 /nfs/dbraw/zinc/28/59/87/372285987.db2.gz FFVZMEULRWDXRV-NSHDSACASA-N 1 1 282.790 3.053 20 70 CGIDMO Fc1cc(Cl)cc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000160892040 372285995 /nfs/dbraw/zinc/28/59/95/372285995.db2.gz FFVZMEULRWDXRV-NSHDSACASA-N 1 1 282.790 3.053 20 70 CGIDMO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161193352 372309705 /nfs/dbraw/zinc/30/97/05/372309705.db2.gz LJGSVYBAGJBDMD-OAHLLOKOSA-N 1 1 299.393 3.100 20 70 CGIDMO c1nc2ccccn2c1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161441324 372324960 /nfs/dbraw/zinc/32/49/60/372324960.db2.gz YUIQXBVLJVTHCC-LSDHHAIUSA-N 1 1 287.432 3.194 20 70 CGIDMO c1nc2ccccn2c1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000161441324 372324969 /nfs/dbraw/zinc/32/49/69/372324969.db2.gz YUIQXBVLJVTHCC-LSDHHAIUSA-N 1 1 287.432 3.194 20 70 CGIDMO C[NH+]1CCC(N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000161445155 372325724 /nfs/dbraw/zinc/32/57/24/372325724.db2.gz CDVUKHMXTYWKAK-OAHLLOKOSA-N 1 1 294.826 3.238 20 70 CGIDMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(Cl)c1 ZINC000218312548 376186299 /nfs/dbraw/zinc/18/62/99/376186299.db2.gz ZVXPEVPQVBSQLW-UHFFFAOYSA-N 1 1 293.769 3.474 20 70 CGIDMO COc1cc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000218230879 376187357 /nfs/dbraw/zinc/18/73/57/376187357.db2.gz IERJTQQBSFKHBI-RCBQFDQVSA-N 1 1 292.398 3.112 20 70 CGIDMO COc1cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)ccc1F ZINC000218230879 376187363 /nfs/dbraw/zinc/18/73/63/376187363.db2.gz IERJTQQBSFKHBI-RCBQFDQVSA-N 1 1 292.398 3.112 20 70 CGIDMO C[NH+](C)C1(CNCc2cccc3cnccc32)CCCC1 ZINC000160668684 542154733 /nfs/dbraw/zinc/15/47/33/542154733.db2.gz HBCUGIASRMUABZ-UHFFFAOYSA-N 1 1 283.419 3.199 20 70 CGIDMO CC[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)Oc1ccccc1F ZINC000160304870 392581679 /nfs/dbraw/zinc/58/16/79/392581679.db2.gz DBPAPNUZBTXZBM-RBSFLKMASA-N 1 1 294.414 3.055 20 70 CGIDMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000217224145 392993754 /nfs/dbraw/zinc/99/37/54/392993754.db2.gz IBQHFBGAJMTLGH-CQSZACIVSA-N 1 1 268.445 3.001 20 70 CGIDMO CCCOc1cccc(CNCC[N@@H+](C)[C@H](C)CC)c1 ZINC000217397318 392994552 /nfs/dbraw/zinc/99/45/52/392994552.db2.gz GLIWPXVZIIVNGD-OAHLLOKOSA-N 1 1 278.440 3.295 20 70 CGIDMO CCCOc1cccc(C[NH2+]CCN(C)[C@H](C)CC)c1 ZINC000217397318 392994557 /nfs/dbraw/zinc/99/45/57/392994557.db2.gz GLIWPXVZIIVNGD-OAHLLOKOSA-N 1 1 278.440 3.295 20 70 CGIDMO CCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000161423387 521160469 /nfs/dbraw/zinc/16/04/69/521160469.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 1 1 276.424 3.001 20 70 CGIDMO CCN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000161423387 521160482 /nfs/dbraw/zinc/16/04/82/521160482.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 1 1 276.424 3.001 20 70 CGIDMO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000160737685 523533924 /nfs/dbraw/zinc/53/39/24/523533924.db2.gz MFANMBJVYGZWOT-INIZCTEOSA-N 1 1 285.391 3.249 20 70 CGIDMO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000160737685 523533932 /nfs/dbraw/zinc/53/39/32/523533932.db2.gz MFANMBJVYGZWOT-INIZCTEOSA-N 1 1 285.391 3.249 20 70 CGIDMO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cncc(F)c1 ZINC000160886797 525522027 /nfs/dbraw/zinc/52/20/27/525522027.db2.gz PVBCJWDOPIDPOT-CYBMUJFWSA-N 1 1 287.382 3.133 20 70 CGIDMO CC[C@H](CC(=O)NCC[N@@H+](C)C(C)C)c1ccc(C)cc1 ZINC000160180372 346170289 /nfs/dbraw/zinc/17/02/89/346170289.db2.gz GKBCTTKREHNKTJ-MRXNPFEDSA-N 1 1 290.451 3.335 20 70 CGIDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159746489 372175334 /nfs/dbraw/zinc/17/53/34/372175334.db2.gz HGGDLFJNFZZSSF-OCCSQVGLSA-N 1 1 287.325 3.298 20 70 CGIDMO Cc1csc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160250918 372230290 /nfs/dbraw/zinc/23/02/90/372230290.db2.gz HUOGONLDKFXFMT-CQSZACIVSA-N 1 1 273.405 3.492 20 70 CGIDMO Cc1csc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160250918 372230295 /nfs/dbraw/zinc/23/02/95/372230295.db2.gz HUOGONLDKFXFMT-CQSZACIVSA-N 1 1 273.405 3.492 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)[nH]1 ZINC000160317232 372238091 /nfs/dbraw/zinc/23/80/91/372238091.db2.gz MKRQRMNIMWCZSW-GFCCVEGCSA-N 1 1 288.395 3.005 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCCCO2)n1 ZINC000159827073 372184586 /nfs/dbraw/zinc/18/45/86/372184586.db2.gz GWOKRMQJMBYQOW-GOEBONIOSA-N 1 1 260.381 3.096 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cnc3c(C)cccn23)cc1 ZINC000159863131 372188857 /nfs/dbraw/zinc/18/88/57/372188857.db2.gz SBXGBAAXYVSZRA-UHFFFAOYSA-N 1 1 295.386 3.283 20 70 CGIDMO CC(C)Sc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000160930839 372289524 /nfs/dbraw/zinc/28/95/24/372289524.db2.gz WOMYAMGBGNZIIX-CYBMUJFWSA-N 1 1 278.421 3.220 20 70 CGIDMO CC(C)Sc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000160930839 372289527 /nfs/dbraw/zinc/28/95/27/372289527.db2.gz WOMYAMGBGNZIIX-CYBMUJFWSA-N 1 1 278.421 3.220 20 70 CGIDMO CC[N@H+](Cc1cccnc1C)C[C@H]1COc2ccccc2O1 ZINC000160955311 372290466 /nfs/dbraw/zinc/29/04/66/372290466.db2.gz XXRLRTJSWCWTDS-INIZCTEOSA-N 1 1 298.386 3.052 20 70 CGIDMO C[N@@H+](CCc1cccs1)Cc1cnc2ccccn12 ZINC000160852178 372281566 /nfs/dbraw/zinc/28/15/66/372281566.db2.gz DWDCZXSZBQOYGF-UHFFFAOYSA-N 1 1 271.389 3.070 20 70 CGIDMO CCn1nccc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000161130814 372304557 /nfs/dbraw/zinc/30/45/57/372304557.db2.gz MJDQEMMLDLSYQR-UHFFFAOYSA-N 1 1 263.772 3.188 20 70 CGIDMO CCn1nccc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000161130814 372304565 /nfs/dbraw/zinc/30/45/65/372304565.db2.gz MJDQEMMLDLSYQR-UHFFFAOYSA-N 1 1 263.772 3.188 20 70 CGIDMO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000161231690 372310700 /nfs/dbraw/zinc/31/07/00/372310700.db2.gz HVZPOFDBODEVKB-IAGOWNOFSA-N 1 1 290.451 3.145 20 70 CGIDMO C[NH+]1CCC(N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000161445274 372324793 /nfs/dbraw/zinc/32/47/93/372324793.db2.gz CDVUKHMXTYWKAK-HNNXBMFYSA-N 1 1 294.826 3.238 20 70 CGIDMO CCOc1ccccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217659340 376176979 /nfs/dbraw/zinc/17/69/79/376176979.db2.gz VFEWUDXRCXHVIO-UAGQMJEPSA-N 1 1 288.435 3.363 20 70 CGIDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688533 376180208 /nfs/dbraw/zinc/18/02/08/376180208.db2.gz QXHIAKIVLZHVSM-BBWFWOEESA-N 1 1 276.399 3.493 20 70 CGIDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688533 376180212 /nfs/dbraw/zinc/18/02/12/376180212.db2.gz QXHIAKIVLZHVSM-BBWFWOEESA-N 1 1 276.399 3.493 20 70 CGIDMO CC(C)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)N1CCCC1 ZINC000218100556 376184766 /nfs/dbraw/zinc/18/47/66/376184766.db2.gz IMEVKEJHDOLXCB-KRWDZBQOSA-N 1 1 285.435 3.378 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000160079601 392580514 /nfs/dbraw/zinc/58/05/14/392580514.db2.gz QFODEDXSFKEGQS-RYUDHWBXSA-N 1 1 270.367 3.346 20 70 CGIDMO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000218730980 392999928 /nfs/dbraw/zinc/99/99/28/392999928.db2.gz MLBGQFXLJJAMIE-HRCADAONSA-N 1 1 281.346 3.090 20 70 CGIDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000218686756 270085635 /nfs/dbraw/zinc/08/56/35/270085635.db2.gz RBEPMXOAZMYTBJ-MRXNPFEDSA-N 1 1 289.806 3.375 20 70 CGIDMO C(CN1CCCCC1)C[N@@H+]1CCC2(CCCC2)C1 ZINC000161317989 518387215 /nfs/dbraw/zinc/38/72/15/518387215.db2.gz OSEXMYIKGUBJLM-UHFFFAOYSA-N 1 1 250.430 3.129 20 70 CGIDMO C(CN1CCCCC1)C[N@H+]1CCC2(CCCC2)C1 ZINC000161317989 518387220 /nfs/dbraw/zinc/38/72/20/518387220.db2.gz OSEXMYIKGUBJLM-UHFFFAOYSA-N 1 1 250.430 3.129 20 70 CGIDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160910769 519270607 /nfs/dbraw/zinc/27/06/07/519270607.db2.gz CCUAVJFZBRJABX-AWEZNQCLSA-N 1 1 257.381 3.202 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1C ZINC000161389954 522059807 /nfs/dbraw/zinc/05/98/07/522059807.db2.gz JYLPKXLCFAOKKN-GFCCVEGCSA-N 1 1 282.815 3.109 20 70 CGIDMO CC[C@]1(C)CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160865021 523560956 /nfs/dbraw/zinc/56/09/56/523560956.db2.gz AGSNQMDWIPYCMN-MRXNPFEDSA-N 1 1 257.381 3.346 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000161442784 527175865 /nfs/dbraw/zinc/17/58/65/527175865.db2.gz POIUEOFCZRKTBL-ZDUSSCGKSA-N 1 1 257.381 3.263 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000160424134 528659925 /nfs/dbraw/zinc/65/99/25/528659925.db2.gz YSUXPNRGPXXYEB-OAHLLOKOSA-N 1 1 263.381 3.259 20 70 CGIDMO CC(C)[N@@H+]1CC[C@H](CNCc2coc3ccccc23)C1 ZINC000161095681 572882698 /nfs/dbraw/zinc/88/26/98/572882698.db2.gz IXPOATPZVXTTQR-CQSZACIVSA-N 1 1 272.392 3.253 20 70 CGIDMO CC(C)[N@H+]1CC[C@H](CNCc2coc3ccccc23)C1 ZINC000161095681 572882703 /nfs/dbraw/zinc/88/27/03/572882703.db2.gz IXPOATPZVXTTQR-CQSZACIVSA-N 1 1 272.392 3.253 20 70 CGIDMO c1oc2ccccc2c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159817897 372182775 /nfs/dbraw/zinc/18/27/75/372182775.db2.gz VFKIBPZBDJPGGF-CYBMUJFWSA-N 1 1 270.376 3.007 20 70 CGIDMO c1oc2ccccc2c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000159817897 372182780 /nfs/dbraw/zinc/18/27/80/372182780.db2.gz VFKIBPZBDJPGGF-CYBMUJFWSA-N 1 1 270.376 3.007 20 70 CGIDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763316 372178098 /nfs/dbraw/zinc/17/80/98/372178098.db2.gz BDEHNURFLMUXKD-IRXDYDNUSA-N 1 1 289.419 3.193 20 70 CGIDMO Cc1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000160230935 372227708 /nfs/dbraw/zinc/22/77/08/372227708.db2.gz NUJNPPSSSDNWSE-WMLDXEAASA-N 1 1 296.418 3.026 20 70 CGIDMO C[N@@H+](Cc1ccccc1Br)CC1=CCCOC1 ZINC000160384524 372242785 /nfs/dbraw/zinc/24/27/85/372242785.db2.gz GMDFXPMGXWPDNC-UHFFFAOYSA-N 1 1 296.208 3.228 20 70 CGIDMO C[N@H+](Cc1ccccc1Br)CC1=CCCOC1 ZINC000160384524 372242789 /nfs/dbraw/zinc/24/27/89/372242789.db2.gz GMDFXPMGXWPDNC-UHFFFAOYSA-N 1 1 296.208 3.228 20 70 CGIDMO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161025137 372297099 /nfs/dbraw/zinc/29/70/99/372297099.db2.gz UKMFEVZJVVPEPG-YGRLFVJLSA-N 1 1 298.377 3.309 20 70 CGIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000161171496 372307367 /nfs/dbraw/zinc/30/73/67/372307367.db2.gz LVGRUUAEIDEPQF-DZGCQCFKSA-N 1 1 294.414 3.359 20 70 CGIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000161171496 372307372 /nfs/dbraw/zinc/30/73/72/372307372.db2.gz LVGRUUAEIDEPQF-DZGCQCFKSA-N 1 1 294.414 3.359 20 70 CGIDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658457 376177077 /nfs/dbraw/zinc/17/70/77/376177077.db2.gz XWSBBBUZGYGNSM-UVBJJODRSA-N 1 1 280.362 3.242 20 70 CGIDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658457 376177083 /nfs/dbraw/zinc/17/70/83/376177083.db2.gz XWSBBBUZGYGNSM-UVBJJODRSA-N 1 1 280.362 3.242 20 70 CGIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000217679392 376179290 /nfs/dbraw/zinc/17/92/90/376179290.db2.gz NBWGACAECLZZGL-MAZHCROVSA-N 1 1 262.372 3.103 20 70 CGIDMO C[C@H](CCSc1ccccc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160808255 542156591 /nfs/dbraw/zinc/15/65/91/542156591.db2.gz HQTOBUBYWSMVDZ-CJNGLKHVSA-N 1 1 279.449 3.260 20 70 CGIDMO FC(F)(F)c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc1 ZINC000217359946 392994262 /nfs/dbraw/zinc/99/42/62/392994262.db2.gz BIVVMANDXILWOB-NEPJUHHUSA-N 1 1 285.313 3.139 20 70 CGIDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000218305960 265111520 /nfs/dbraw/zinc/11/15/20/265111520.db2.gz QHBZMTLPSGMFBW-LBPRGKRZSA-N 1 1 299.773 3.254 20 70 CGIDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000218305960 265111524 /nfs/dbraw/zinc/11/15/24/265111524.db2.gz QHBZMTLPSGMFBW-LBPRGKRZSA-N 1 1 299.773 3.254 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cccc2c1OC(C)(C)C2 ZINC000217798227 270085626 /nfs/dbraw/zinc/08/56/26/270085626.db2.gz FJBADPWZWCCXBK-CQSZACIVSA-N 1 1 290.451 3.220 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217798227 270085627 /nfs/dbraw/zinc/08/56/27/270085627.db2.gz FJBADPWZWCCXBK-CQSZACIVSA-N 1 1 290.451 3.220 20 70 CGIDMO Cc1cccc(N[C@@H]2CCCc3cc(N)ccc32)[nH+]1 ZINC000159493762 281247742 /nfs/dbraw/zinc/24/77/42/281247742.db2.gz MTCLGCCMWBPCEX-OAHLLOKOSA-N 1 1 253.349 3.462 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000159444675 521706045 /nfs/dbraw/zinc/70/60/45/521706045.db2.gz QGWXMPVVJOTSEI-OAHLLOKOSA-N 1 1 251.345 3.389 20 70 CGIDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cnc2ccccn12 ZINC000160904292 521711726 /nfs/dbraw/zinc/71/17/26/521711726.db2.gz NZHPZCRMJWZACM-CYBMUJFWSA-N 1 1 277.437 3.298 20 70 CGIDMO CC[C@H](NC1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000161437629 522560771 /nfs/dbraw/zinc/56/07/71/522560771.db2.gz BJTYSHNLFQQBMB-HNNXBMFYSA-N 1 1 296.842 3.484 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1C ZINC000161390083 523921387 /nfs/dbraw/zinc/92/13/87/523921387.db2.gz JYLPKXLCFAOKKN-LBPRGKRZSA-N 1 1 282.815 3.109 20 70 CGIDMO Cc1cccc(C)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160388065 524261667 /nfs/dbraw/zinc/26/16/67/524261667.db2.gz HVVQQOCDGZYIGP-JKSUJKDBSA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1cccc(C)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160388065 524261672 /nfs/dbraw/zinc/26/16/72/524261672.db2.gz HVVQQOCDGZYIGP-JKSUJKDBSA-N 1 1 258.409 3.020 20 70 CGIDMO c1sc(C2CC2)nc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000161410551 526631212 /nfs/dbraw/zinc/63/12/12/526631212.db2.gz NJWDCADJQLLJJI-LLVKDONJSA-N 1 1 278.421 3.021 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160790086 282090807 /nfs/dbraw/zinc/09/08/07/282090807.db2.gz NIMCDCMYHBFSNI-CABCVRRESA-N 1 1 269.392 3.407 20 70 CGIDMO C[N@@H+](CC1CC1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159388548 372137176 /nfs/dbraw/zinc/13/71/76/372137176.db2.gz VQJRVEMHSYMNIN-HNNXBMFYSA-N 1 1 292.810 3.177 20 70 CGIDMO CCCCc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159652263 372164715 /nfs/dbraw/zinc/16/47/15/372164715.db2.gz IKKANQWPSRKAKS-JSGCOSHPSA-N 1 1 282.453 3.079 20 70 CGIDMO CCCCc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159652263 372164723 /nfs/dbraw/zinc/16/47/23/372164723.db2.gz IKKANQWPSRKAKS-JSGCOSHPSA-N 1 1 282.453 3.079 20 70 CGIDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCn1ccnc1 ZINC000159688559 372169854 /nfs/dbraw/zinc/16/98/54/372169854.db2.gz RPFZJVXRWPWTLQ-ZDUSSCGKSA-N 1 1 269.348 3.322 20 70 CGIDMO Cc1cc(NC[C@@](C)(O)c2ccccc2Cl)nc(C)[nH+]1 ZINC000160149974 372218948 /nfs/dbraw/zinc/21/89/48/372218948.db2.gz VVYZFMQAEGRTCA-OAHLLOKOSA-N 1 1 291.782 3.066 20 70 CGIDMO Cc1cc2ccccc2nc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160245876 372229418 /nfs/dbraw/zinc/22/94/18/372229418.db2.gz DJIHPHSCTBATIJ-HIFRSBDPSA-N 1 1 269.392 3.438 20 70 CGIDMO CCCO[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC000160275633 372233191 /nfs/dbraw/zinc/23/31/91/372233191.db2.gz ACKFNGMXISEKHO-MRXNPFEDSA-N 1 1 287.407 3.115 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)[nH]1 ZINC000160301347 372235482 /nfs/dbraw/zinc/23/54/82/372235482.db2.gz WYSKUYXHDBORLN-LBPRGKRZSA-N 1 1 288.395 3.005 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](CC)c2cccc(Cl)c2)[nH]1 ZINC000160298270 372236077 /nfs/dbraw/zinc/23/60/77/372236077.db2.gz WXBKDFFXFGTLEK-LBPRGKRZSA-N 1 1 278.787 3.261 20 70 CGIDMO COCCCCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159831260 372184357 /nfs/dbraw/zinc/18/43/57/372184357.db2.gz WOVCQNFMTWUFRW-INIZCTEOSA-N 1 1 262.397 3.344 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)n1 ZINC000159885078 372191383 /nfs/dbraw/zinc/19/13/83/372191383.db2.gz IQQMMLMEJFQSBF-QGZVFWFLSA-N 1 1 292.386 3.375 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3n2)n1 ZINC000159885078 372191387 /nfs/dbraw/zinc/19/13/87/372191387.db2.gz IQQMMLMEJFQSBF-QGZVFWFLSA-N 1 1 292.386 3.375 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000160943173 372291137 /nfs/dbraw/zinc/29/11/37/372291137.db2.gz RMWMRUGBTNAJIA-UHFFFAOYSA-N 1 1 278.444 3.397 20 70 CGIDMO Cc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161020258 372294835 /nfs/dbraw/zinc/29/48/35/372294835.db2.gz KQQJAFLEJJJWLR-VKJFTORMSA-N 1 1 272.436 3.445 20 70 CGIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033480 372296351 /nfs/dbraw/zinc/29/63/51/372296351.db2.gz VMQUIDDPJVRNQL-XQQFMLRXSA-N 1 1 252.427 3.272 20 70 CGIDMO C[N@@H+](Cc1cnc2ccccn12)[C@@H]1CCc2ccccc2C1 ZINC000160416773 372246646 /nfs/dbraw/zinc/24/66/46/372246646.db2.gz QZPNTHWDFYLTOK-QGZVFWFLSA-N 1 1 291.398 3.324 20 70 CGIDMO CNC(=O)C(C)(C)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000161076787 372300580 /nfs/dbraw/zinc/30/05/80/372300580.db2.gz KCNDQJFCSKPSMS-UHFFFAOYSA-N 1 1 291.782 3.072 20 70 CGIDMO CCc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160571378 372259702 /nfs/dbraw/zinc/25/97/02/372259702.db2.gz CKHPOKSOPSPPQK-MRXNPFEDSA-N 1 1 288.435 3.099 20 70 CGIDMO C[N@H+](Cc1cncs1)Cc1ccc(OC(F)F)cc1 ZINC000160620426 372262415 /nfs/dbraw/zinc/26/24/15/372262415.db2.gz PERHOLCNLXQBAR-UHFFFAOYSA-N 1 1 284.331 3.377 20 70 CGIDMO C[N@@H+](Cc1cncs1)Cc1ccc(OC(F)F)cc1 ZINC000160620426 372262421 /nfs/dbraw/zinc/26/24/21/372262421.db2.gz PERHOLCNLXQBAR-UHFFFAOYSA-N 1 1 284.331 3.377 20 70 CGIDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1CCC(C)(C)CC1 ZINC000160654664 372266441 /nfs/dbraw/zinc/26/64/41/372266441.db2.gz JMPJPUMRWDLBRD-ZFWWWQNUSA-N 1 1 280.456 3.001 20 70 CGIDMO CCCC[N@H+](Cc1nncn1C)[C@H](C)c1ccccc1 ZINC000160871628 372284252 /nfs/dbraw/zinc/28/42/52/372284252.db2.gz FCVYZLSVIHRDRX-CQSZACIVSA-N 1 1 272.396 3.178 20 70 CGIDMO CCCC[N@@H+](Cc1nncn1C)[C@H](C)c1ccccc1 ZINC000160871628 372284256 /nfs/dbraw/zinc/28/42/56/372284256.db2.gz FCVYZLSVIHRDRX-CQSZACIVSA-N 1 1 272.396 3.178 20 70 CGIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)ccc1F ZINC000217672761 376177472 /nfs/dbraw/zinc/17/74/72/376177472.db2.gz CKDMFKCRYLGAIE-XZJROXQQSA-N 1 1 280.362 3.242 20 70 CGIDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218117937 376185072 /nfs/dbraw/zinc/18/50/72/376185072.db2.gz AGSATQVYNNLVHQ-BBWFWOEESA-N 1 1 288.435 3.363 20 70 CGIDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccccc1OC ZINC000218117937 376185074 /nfs/dbraw/zinc/18/50/74/376185074.db2.gz AGSATQVYNNLVHQ-BBWFWOEESA-N 1 1 288.435 3.363 20 70 CGIDMO CCCn1nccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000159981690 542151639 /nfs/dbraw/zinc/15/16/39/542151639.db2.gz BOFIGZNHKYPTOX-UHFFFAOYSA-N 1 1 295.333 3.184 20 70 CGIDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359669 392584414 /nfs/dbraw/zinc/58/44/14/392584414.db2.gz UXPCPICRXBWRLF-CKEIUWERSA-N 1 1 290.426 3.176 20 70 CGIDMO CSCC[C@H](C)[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000160508364 525564870 /nfs/dbraw/zinc/56/48/70/525564870.db2.gz JGUCFRIPSKBDEY-LBPRGKRZSA-N 1 1 277.437 3.216 20 70 CGIDMO Fc1cc(Cl)ccc1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000160715238 526301548 /nfs/dbraw/zinc/30/15/48/526301548.db2.gz WSHYMKYYPAIJKK-LSDHHAIUSA-N 1 1 282.790 3.196 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+](C(C)C)C1CCC1 ZINC000160566940 527175302 /nfs/dbraw/zinc/17/53/02/527175302.db2.gz GTMVVCQLQUNMLT-UHFFFAOYSA-N 1 1 257.381 3.406 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCCC(C)(C)C1 ZINC000160384255 527177306 /nfs/dbraw/zinc/17/73/06/527177306.db2.gz GYHYYKXVGJDWRZ-UHFFFAOYSA-N 1 1 257.381 3.265 20 70 CGIDMO Cc1[nH+]c2c(n1CC(=O)c1ccc(F)cc1F)CCCC2 ZINC000216708977 572854624 /nfs/dbraw/zinc/85/46/24/572854624.db2.gz OIHSKPAVJPVFPO-UHFFFAOYSA-N 1 1 290.313 3.231 20 70 CGIDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(F)cc32)C1 ZINC000161080524 572882480 /nfs/dbraw/zinc/88/24/80/572882480.db2.gz UYVVPMKYYKJZCN-BFYDXBDKSA-N 1 1 276.399 3.275 20 70 CGIDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159637808 346168804 /nfs/dbraw/zinc/16/88/04/346168804.db2.gz RLEFUELRIVHNNW-AGIUHOORSA-N 1 1 280.412 3.126 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)[nH]1 ZINC000160483983 346170718 /nfs/dbraw/zinc/17/07/18/346170718.db2.gz VWXWUAJGKADUPZ-OAHLLOKOSA-N 1 1 290.386 3.383 20 70 CGIDMO COc1cc(C)ccc1C[NH2+][C@H](C)c1ccccn1 ZINC000159364906 372135899 /nfs/dbraw/zinc/13/58/99/372135899.db2.gz ZQPMQGGDAVNWOC-CYBMUJFWSA-N 1 1 256.349 3.249 20 70 CGIDMO c1coc(C[N@H+](CCOCC2CC2)C2CCCC2)c1 ZINC000159369044 372135934 /nfs/dbraw/zinc/13/59/34/372135934.db2.gz PKYVAGFKTYMVFO-UHFFFAOYSA-N 1 1 263.381 3.451 20 70 CGIDMO Cc1cc[nH+]c(N(C)Cc2nccn2Cc2ccccc2)c1 ZINC000159703101 372171249 /nfs/dbraw/zinc/17/12/49/372171249.db2.gz FLIDPHNZJZQVBH-UHFFFAOYSA-N 1 1 292.386 3.271 20 70 CGIDMO CC1(C)Cc2cccc(C[N@H+]3CCCC[C@H]3CCO)c2O1 ZINC000159720272 372171953 /nfs/dbraw/zinc/17/19/53/372171953.db2.gz MSTYRFMFDMFMLK-INIZCTEOSA-N 1 1 289.419 3.137 20 70 CGIDMO c1ccc(Cc2noc(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000159736405 372173457 /nfs/dbraw/zinc/17/34/57/372173457.db2.gz ZMZKCMCLJAFXAD-HOTGVXAUSA-N 1 1 297.402 3.425 20 70 CGIDMO CCCCOCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159735806 372173705 /nfs/dbraw/zinc/17/37/05/372173705.db2.gz LVDZIMGZUHMAIG-INIZCTEOSA-N 1 1 262.397 3.344 20 70 CGIDMO CC1(C)CCCC[C@H]1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000160133398 372216248 /nfs/dbraw/zinc/21/62/48/372216248.db2.gz XLFABQJVMFXJTB-CABCVRRESA-N 1 1 292.467 3.193 20 70 CGIDMO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000160203408 372224638 /nfs/dbraw/zinc/22/46/38/372224638.db2.gz JYMNWOUKGRPDQF-ZOBUZTSGSA-N 1 1 284.403 3.451 20 70 CGIDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3cncc(F)c3)cn21 ZINC000160327476 372238905 /nfs/dbraw/zinc/23/89/05/372238905.db2.gz ONZLLGJJXZYCEE-LBPRGKRZSA-N 1 1 284.338 3.028 20 70 CGIDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCn1ccnc1 ZINC000159836289 372185153 /nfs/dbraw/zinc/18/51/53/372185153.db2.gz QZRULECNEIFAHU-ZDUSSCGKSA-N 1 1 277.799 3.100 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000159873516 372191185 /nfs/dbraw/zinc/19/11/85/372191185.db2.gz JGNYSNGCSVPVJR-UHFFFAOYSA-N 1 1 287.407 3.279 20 70 CGIDMO C[C@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159916439 372193218 /nfs/dbraw/zinc/19/32/18/372193218.db2.gz VMBBTFJKJTZVOU-VIFPVBQESA-N 1 1 294.196 3.310 20 70 CGIDMO C[C@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159916439 372193222 /nfs/dbraw/zinc/19/32/22/372193222.db2.gz VMBBTFJKJTZVOU-VIFPVBQESA-N 1 1 294.196 3.310 20 70 CGIDMO C[C@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1 ZINC000159916439 372193228 /nfs/dbraw/zinc/19/32/28/372193228.db2.gz VMBBTFJKJTZVOU-VIFPVBQESA-N 1 1 294.196 3.310 20 70 CGIDMO C[N@@H+](Cc1cccc(F)c1)Cc1cccc2c[nH]nc21 ZINC000160461965 372249467 /nfs/dbraw/zinc/24/94/67/372249467.db2.gz TZXJDGLKCHICQQ-UHFFFAOYSA-N 1 1 269.323 3.334 20 70 CGIDMO CC1(C)C[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000160492013 372251183 /nfs/dbraw/zinc/25/11/83/372251183.db2.gz LBYZLFHXAJKVRR-INIZCTEOSA-N 1 1 292.467 3.147 20 70 CGIDMO C[C@H]1C[C@H](NCCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811345 372277540 /nfs/dbraw/zinc/27/75/40/372277540.db2.gz HWCOVEHGGDJEHN-DOTOQJQBSA-N 1 1 298.430 3.291 20 70 CGIDMO C[C@H]1C[C@H](NCCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811345 372277548 /nfs/dbraw/zinc/27/75/48/372277548.db2.gz HWCOVEHGGDJEHN-DOTOQJQBSA-N 1 1 298.430 3.291 20 70 CGIDMO C[C@H](CN[C@@H](C)c1cncs1)[N@@H+](C)Cc1ccccc1 ZINC000160862133 372282907 /nfs/dbraw/zinc/28/29/07/372282907.db2.gz DRPAJBUKHALZNH-KGLIPLIRSA-N 1 1 289.448 3.314 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc(-c2ccccc2)o1 ZINC000161193058 372309537 /nfs/dbraw/zinc/30/95/37/372309537.db2.gz OSAPIPLUQFYLTB-UHFFFAOYSA-N 1 1 259.349 3.151 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cc(Cl)c(OC)cc1Cl ZINC000161236893 372311560 /nfs/dbraw/zinc/31/15/60/372311560.db2.gz PHHAIEMYNFYEMY-UHFFFAOYSA-N 1 1 292.206 3.206 20 70 CGIDMO C[N@@H+]1CCC[C@H]1CCN1CCC(Oc2ccccc2)CC1 ZINC000161472379 372328005 /nfs/dbraw/zinc/32/80/05/372328005.db2.gz VRHLLPYAOAHVTL-INIZCTEOSA-N 1 1 288.435 3.014 20 70 CGIDMO C[N@H+]1CCC[C@H]1CCN1CCC(Oc2ccccc2)CC1 ZINC000161472379 372328009 /nfs/dbraw/zinc/32/80/09/372328009.db2.gz VRHLLPYAOAHVTL-INIZCTEOSA-N 1 1 288.435 3.014 20 70 CGIDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000217658814 376175997 /nfs/dbraw/zinc/17/59/97/376175997.db2.gz MNDHLVASQINRJO-UVBJJODRSA-N 1 1 280.362 3.242 20 70 CGIDMO CCC[N@@H+](CC)CCN[C@H]1CCCc2ccc(O)cc21 ZINC000217667265 376176477 /nfs/dbraw/zinc/17/64/77/376176477.db2.gz LVOMQGVXOSQHNP-KRWDZBQOSA-N 1 1 276.424 3.091 20 70 CGIDMO CCCN(CC)CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000217667265 376176485 /nfs/dbraw/zinc/17/64/85/376176485.db2.gz LVOMQGVXOSQHNP-KRWDZBQOSA-N 1 1 276.424 3.091 20 70 CGIDMO CCC[N@@H+](CC)CCN[C@@H]1CCCc2ccc(O)cc21 ZINC000217667178 376178042 /nfs/dbraw/zinc/17/80/42/376178042.db2.gz LVOMQGVXOSQHNP-QGZVFWFLSA-N 1 1 276.424 3.091 20 70 CGIDMO CCCN(CC)CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000217667178 376178051 /nfs/dbraw/zinc/17/80/51/376178051.db2.gz LVOMQGVXOSQHNP-QGZVFWFLSA-N 1 1 276.424 3.091 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)nc2)cc1 ZINC000160641159 542154746 /nfs/dbraw/zinc/15/47/46/542154746.db2.gz JXEZDCUGTPRVRV-UHFFFAOYSA-N 1 1 269.392 3.088 20 70 CGIDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160868007 542155717 /nfs/dbraw/zinc/15/57/17/542155717.db2.gz PPMOFXBYUXIAKP-HZMBPMFUSA-N 1 1 253.773 3.104 20 70 CGIDMO C[N@H+]1CCN(Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000216730933 392992969 /nfs/dbraw/zinc/99/29/69/392992969.db2.gz JXDRQYGBPXSZIZ-GOSISDBHSA-N 1 1 284.378 3.314 20 70 CGIDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000218306044 265112520 /nfs/dbraw/zinc/11/25/20/265112520.db2.gz ILWWEPMFRHIJFL-LLVKDONJSA-N 1 1 299.773 3.254 20 70 CGIDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000218306044 265112521 /nfs/dbraw/zinc/11/25/21/265112521.db2.gz ILWWEPMFRHIJFL-LLVKDONJSA-N 1 1 299.773 3.254 20 70 CGIDMO CC[C@@H](C)[N@H+](C)CCNCc1c(C)cc(C)cc1C ZINC000217377436 270085290 /nfs/dbraw/zinc/08/52/90/270085290.db2.gz KQXWMMFQBAINOT-MRXNPFEDSA-N 1 1 262.441 3.432 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1c(C)cc(C)cc1C ZINC000217377436 270085291 /nfs/dbraw/zinc/08/52/91/270085291.db2.gz KQXWMMFQBAINOT-MRXNPFEDSA-N 1 1 262.441 3.432 20 70 CGIDMO CCN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H](C)C(C)C ZINC000160901887 279004020 /nfs/dbraw/zinc/00/40/20/279004020.db2.gz DBUKXXIQKBQLMS-CABCVRRESA-N 1 1 295.471 3.079 20 70 CGIDMO CC[C@](C)(O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000161268040 523495448 /nfs/dbraw/zinc/49/54/48/523495448.db2.gz XLEPPQLKAQLLCZ-SJORKVTESA-N 1 1 276.424 3.051 20 70 CGIDMO COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC000161447493 524037962 /nfs/dbraw/zinc/03/79/62/524037962.db2.gz DWQFSSQNMJAIFQ-HIFRSBDPSA-N 1 1 295.810 3.350 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2nc(C)ccc2c1 ZINC000161469354 529689823 /nfs/dbraw/zinc/68/98/23/529689823.db2.gz SASPPOVQAUDPIC-AWEZNQCLSA-N 1 1 299.418 3.003 20 70 CGIDMO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159463638 372146052 /nfs/dbraw/zinc/14/60/52/372146052.db2.gz QRRIQLAPEQGMII-HZMBPMFUSA-N 1 1 271.763 3.072 20 70 CGIDMO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159463638 372146055 /nfs/dbraw/zinc/14/60/55/372146055.db2.gz QRRIQLAPEQGMII-HZMBPMFUSA-N 1 1 271.763 3.072 20 70 CGIDMO CC1(C)CCCC[C@@H]1CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160133016 372217174 /nfs/dbraw/zinc/21/71/74/372217174.db2.gz XLFABQJVMFXJTB-LSDHHAIUSA-N 1 1 292.467 3.193 20 70 CGIDMO C[C@@H](SCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000159943805 372196827 /nfs/dbraw/zinc/19/68/27/372196827.db2.gz MLBGODKWJJGJJN-LLVKDONJSA-N 1 1 287.375 3.091 20 70 CGIDMO C(CN1CCCCC1)C[N@@H+](C1CC1)C1CCCC1 ZINC000161015133 372294685 /nfs/dbraw/zinc/29/46/85/372294685.db2.gz YWSORZJXHSOSAF-UHFFFAOYSA-N 1 1 250.430 3.269 20 70 CGIDMO COc1ccccc1C[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000160426328 372246675 /nfs/dbraw/zinc/24/66/75/372246675.db2.gz ZEIPANYWAOTRPG-UHFFFAOYSA-N 1 1 287.407 3.279 20 70 CGIDMO COc1ccccc1C[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000160426328 372246679 /nfs/dbraw/zinc/24/66/79/372246679.db2.gz ZEIPANYWAOTRPG-UHFFFAOYSA-N 1 1 287.407 3.279 20 70 CGIDMO CCC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccccc1 ZINC000160476011 372250473 /nfs/dbraw/zinc/25/04/73/372250473.db2.gz BOUKTOXQYDYCCZ-UHFFFAOYSA-N 1 1 299.418 3.129 20 70 CGIDMO CCn1nc(C)c(C[N@H+](C)Cc2ccc(C)o2)c1C ZINC000160854760 372281648 /nfs/dbraw/zinc/28/16/48/372281648.db2.gz UWJMPJVORJUFPA-UHFFFAOYSA-N 1 1 261.369 3.053 20 70 CGIDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C)o2)c1C ZINC000160854760 372281653 /nfs/dbraw/zinc/28/16/53/372281653.db2.gz UWJMPJVORJUFPA-UHFFFAOYSA-N 1 1 261.369 3.053 20 70 CGIDMO CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000160855644 372283025 /nfs/dbraw/zinc/28/30/25/372283025.db2.gz ACBQGRXIMKGRGS-UHFFFAOYSA-N 1 1 272.348 3.178 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccccc1OC1CCCC1 ZINC000161198002 372309044 /nfs/dbraw/zinc/30/90/44/372309044.db2.gz CHLQEIMHHFGLGP-UHFFFAOYSA-N 1 1 277.408 3.212 20 70 CGIDMO Cc1cccc(C)c1OCCC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000161234657 372311356 /nfs/dbraw/zinc/31/13/56/372311356.db2.gz HBYRTFVHLPHQMG-IRXDYDNUSA-N 1 1 290.451 3.002 20 70 CGIDMO CCc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000217823261 376179420 /nfs/dbraw/zinc/17/94/20/376179420.db2.gz XRPFPDGXWDFFGB-UHFFFAOYSA-N 1 1 257.381 3.316 20 70 CGIDMO CCn1nccc1C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000159876496 542152196 /nfs/dbraw/zinc/15/21/96/542152196.db2.gz VZRWBDJZLZQQFY-UHFFFAOYSA-N 1 1 284.190 3.500 20 70 CGIDMO CCCn1nccc1CNc1cccc2cc[nH+]cc21 ZINC000160179756 542152956 /nfs/dbraw/zinc/15/29/56/542152956.db2.gz DKALAVVNZDSINF-UHFFFAOYSA-N 1 1 266.348 3.453 20 70 CGIDMO CCCOc1cccc(CNCC[N@@H+](C)[C@@H](C)CC)c1 ZINC000217397230 392993938 /nfs/dbraw/zinc/99/39/38/392993938.db2.gz GLIWPXVZIIVNGD-HNNXBMFYSA-N 1 1 278.440 3.295 20 70 CGIDMO CCCOc1cccc(C[NH2+]CCN(C)[C@@H](C)CC)c1 ZINC000217397230 392993943 /nfs/dbraw/zinc/99/39/43/392993943.db2.gz GLIWPXVZIIVNGD-HNNXBMFYSA-N 1 1 278.440 3.295 20 70 CGIDMO CCOCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000159550507 286056364 /nfs/dbraw/zinc/05/63/64/286056364.db2.gz GOKBEABJTDMSIE-QGZVFWFLSA-N 1 1 277.408 3.094 20 70 CGIDMO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H](C)C(C)C ZINC000160901496 279003449 /nfs/dbraw/zinc/00/34/49/279003449.db2.gz DBUKXXIQKBQLMS-LSDHHAIUSA-N 1 1 295.471 3.079 20 70 CGIDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCn2ccnc2)C1 ZINC000159838690 281375340 /nfs/dbraw/zinc/37/53/40/281375340.db2.gz HHKRLIPLENNQRG-JKSUJKDBSA-N 1 1 269.392 3.070 20 70 CGIDMO c1nc2ccccn2c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160789951 526609114 /nfs/dbraw/zinc/60/91/14/526609114.db2.gz DNNSBZOSINGDGH-ZFWWWQNUSA-N 1 1 255.365 3.099 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000160878591 527178039 /nfs/dbraw/zinc/17/80/39/527178039.db2.gz QMSXHZACWIOBED-HNNXBMFYSA-N 1 1 289.448 3.216 20 70 CGIDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000160927178 527404618 /nfs/dbraw/zinc/40/46/18/527404618.db2.gz NXSHJZPUHIOULT-KRWDZBQOSA-N 1 1 294.402 3.400 20 70 CGIDMO CCC[NH+]1CCC(NCc2c(C)cccc2C)CC1 ZINC000160381853 528204509 /nfs/dbraw/zinc/20/45/09/528204509.db2.gz ZETWCXSVWSUXGS-UHFFFAOYSA-N 1 1 260.425 3.267 20 70 CGIDMO CCCN1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC000160381853 528204514 /nfs/dbraw/zinc/20/45/14/528204514.db2.gz ZETWCXSVWSUXGS-UHFFFAOYSA-N 1 1 260.425 3.267 20 70 CGIDMO Cc1nc(CC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cs1 ZINC000160270755 188463170 /nfs/dbraw/zinc/46/31/70/188463170.db2.gz XLCWDCCZQYYSSQ-SECBINFHSA-N 1 1 294.424 3.025 20 70 CGIDMO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159459526 372146019 /nfs/dbraw/zinc/14/60/19/372146019.db2.gz QSDHZXYZVBZHGI-GRYCIOLGSA-N 1 1 298.377 3.309 20 70 CGIDMO C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000159499439 372150670 /nfs/dbraw/zinc/15/06/70/372150670.db2.gz IFQNXTVKQWBXQT-WMZOPIPTSA-N 1 1 269.388 3.433 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000159792706 372181425 /nfs/dbraw/zinc/18/14/25/372181425.db2.gz WDVYTKXBRRSOCC-INIZCTEOSA-N 1 1 253.349 3.122 20 70 CGIDMO Cc1n[nH]cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000159762574 372177798 /nfs/dbraw/zinc/17/77/98/372177798.db2.gz PTCUOQSKLFEEMB-UHFFFAOYSA-N 1 1 253.349 3.007 20 70 CGIDMO CCCCOC(=O)CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160107200 372214412 /nfs/dbraw/zinc/21/44/12/372214412.db2.gz HHMMRUXCUWXARF-MRXNPFEDSA-N 1 1 290.407 3.260 20 70 CGIDMO O=C(NCCC1=CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000160254628 372230265 /nfs/dbraw/zinc/23/02/65/372230265.db2.gz BIXQDYXQMDXQEX-GOSISDBHSA-N 1 1 298.430 3.268 20 70 CGIDMO CSC[C@H]1CCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160305174 372236000 /nfs/dbraw/zinc/23/60/00/372236000.db2.gz FVFNKPBYDYYJQN-OAHLLOKOSA-N 1 1 277.433 3.395 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000160342216 372238972 /nfs/dbraw/zinc/23/89/72/372238972.db2.gz ZLCJJCCPAPGUET-ZDUSSCGKSA-N 1 1 273.380 3.400 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000159864983 372189454 /nfs/dbraw/zinc/18/94/54/372189454.db2.gz WXFQNDNFLZJHOM-UHFFFAOYSA-N 1 1 287.407 3.348 20 70 CGIDMO CC(C)Oc1cccc(CSCC[NH+]2CCOCC2)c1 ZINC000159895959 372191448 /nfs/dbraw/zinc/19/14/48/372191448.db2.gz KCETVJBIXYABBY-UHFFFAOYSA-N 1 1 295.448 3.039 20 70 CGIDMO CC(C)Sc1ccccc1NC(=O)C[N@@H+](C)C(C)C ZINC000160937737 372289107 /nfs/dbraw/zinc/28/91/07/372289107.db2.gz SLJLSERVUDJKOS-UHFFFAOYSA-N 1 1 280.437 3.466 20 70 CGIDMO COC(C[N@H+]1CCCCC[C@H]1c1ccccc1)OC ZINC000160622119 372262643 /nfs/dbraw/zinc/26/26/43/372262643.db2.gz RVECDINHOKTEON-HNNXBMFYSA-N 1 1 263.381 3.223 20 70 CGIDMO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2Cl)n1 ZINC000160816949 372279883 /nfs/dbraw/zinc/27/98/83/372279883.db2.gz DSVNRVRFBNUUGZ-UHFFFAOYSA-N 1 1 276.767 3.381 20 70 CGIDMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccccc2Cl)n1 ZINC000160816949 372279888 /nfs/dbraw/zinc/27/98/88/372279888.db2.gz DSVNRVRFBNUUGZ-UHFFFAOYSA-N 1 1 276.767 3.381 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2cccnc2)o1 ZINC000160852840 372280993 /nfs/dbraw/zinc/28/09/93/372280993.db2.gz CMVGLBINNISODP-UHFFFAOYSA-N 1 1 296.374 3.016 20 70 CGIDMO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000161111967 372302265 /nfs/dbraw/zinc/30/22/65/372302265.db2.gz QXLNAJPHKDMFMR-WQVCFCJDSA-N 1 1 264.388 3.349 20 70 CGIDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161193238 372309909 /nfs/dbraw/zinc/30/99/09/372309909.db2.gz LJGSVYBAGJBDMD-HNNXBMFYSA-N 1 1 299.393 3.100 20 70 CGIDMO C[N@H+]1CCC[C@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@H]21 ZINC000161306480 372316104 /nfs/dbraw/zinc/31/61/04/372316104.db2.gz VOWLTPNTNPWGNG-JKSUJKDBSA-N 1 1 292.467 3.146 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@H](CNc2ccnc(C3CC3)n2)C1 ZINC000161315785 372316461 /nfs/dbraw/zinc/31/64/61/372316461.db2.gz VULBXRXSKYKIOE-CQSZACIVSA-N 1 1 288.439 3.134 20 70 CGIDMO CC[C@@H](CSC)[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000161400706 372321650 /nfs/dbraw/zinc/32/16/50/372321650.db2.gz LRGQRSBVLZNYMK-NSHDSACASA-N 1 1 263.410 3.136 20 70 CGIDMO COc1ccc([C@@H]([NH2+]C[C@@H]2CCCN(C)C2)C2CC2)cc1 ZINC000217566849 376177768 /nfs/dbraw/zinc/17/77/68/376177768.db2.gz LGHUHRRNRCXRIY-KSSFIOAISA-N 1 1 288.435 3.078 20 70 CGIDMO Cc1cc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)o1 ZINC000217699284 376179914 /nfs/dbraw/zinc/17/99/14/376179914.db2.gz JPJGRGKSSMZWDR-RCBQFDQVSA-N 1 1 262.397 3.174 20 70 CGIDMO Cc1cc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c(C)o1 ZINC000217699284 376179920 /nfs/dbraw/zinc/17/99/20/376179920.db2.gz JPJGRGKSSMZWDR-RCBQFDQVSA-N 1 1 262.397 3.174 20 70 CGIDMO CCC[N@@H+](CCCC(=O)OC)CCc1cccc(F)c1 ZINC000217223940 392994069 /nfs/dbraw/zinc/99/40/69/392994069.db2.gz YLTRIMQXDCWSGW-UHFFFAOYSA-N 1 1 281.371 3.033 20 70 CGIDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972632 274340567 /nfs/dbraw/zinc/34/05/67/274340567.db2.gz DGQHNIJNJANJDM-AHEZYBDSSA-N 1 1 272.436 3.035 20 70 CGIDMO C[C@@H](SCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000159996445 321844377 /nfs/dbraw/zinc/84/43/77/321844377.db2.gz STYCTOHPSGDPDO-LLVKDONJSA-N 1 1 287.375 3.091 20 70 CGIDMO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000160737524 523532866 /nfs/dbraw/zinc/53/28/66/523532866.db2.gz MFANMBJVYGZWOT-MRXNPFEDSA-N 1 1 285.391 3.249 20 70 CGIDMO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000160737524 523532875 /nfs/dbraw/zinc/53/28/75/523532875.db2.gz MFANMBJVYGZWOT-MRXNPFEDSA-N 1 1 285.391 3.249 20 70 CGIDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160487388 524556542 /nfs/dbraw/zinc/55/65/42/524556542.db2.gz JBCHIOHHXHREAX-HOCLYGCPSA-N 1 1 290.476 3.241 20 70 CGIDMO CSCC[C@@H](C)[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000160508502 525525844 /nfs/dbraw/zinc/52/58/44/525525844.db2.gz JGUCFRIPSKBDEY-GFCCVEGCSA-N 1 1 277.437 3.216 20 70 CGIDMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)cn1 ZINC000160730467 527375399 /nfs/dbraw/zinc/37/53/99/527375399.db2.gz RUIDTSYEFDBSBB-JSGCOSHPSA-N 1 1 298.390 3.341 20 70 CGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000159456989 372146085 /nfs/dbraw/zinc/14/60/85/372146085.db2.gz HBUNTEIHOBBZTD-IUCAKERBSA-N 1 1 262.180 3.367 20 70 CGIDMO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159533696 372152477 /nfs/dbraw/zinc/15/24/77/372152477.db2.gz JVFHLQNGMMCJHH-QWRGUYRKSA-N 1 1 298.377 3.309 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCc2ccccn2)n1 ZINC000159752103 372175345 /nfs/dbraw/zinc/17/53/45/372175345.db2.gz RDRUIIGUJSAPPH-KRWDZBQOSA-N 1 1 267.376 3.165 20 70 CGIDMO C[N@H+](Cc1ccc2ccccc2c1)[C@@H](CN)C1CC1 ZINC000159759013 372176585 /nfs/dbraw/zinc/17/65/85/372176585.db2.gz DDINKPDVGBARGP-KRWDZBQOSA-N 1 1 254.377 3.009 20 70 CGIDMO C[N@@H+](Cc1ccc2ccccc2c1)[C@@H](CN)C1CC1 ZINC000159759013 372176591 /nfs/dbraw/zinc/17/65/91/372176591.db2.gz DDINKPDVGBARGP-KRWDZBQOSA-N 1 1 254.377 3.009 20 70 CGIDMO Cc1ccccc1[C@H](C)SCC[NH+]1CCOCC1 ZINC000159772266 372178660 /nfs/dbraw/zinc/17/86/60/372178660.db2.gz QNKDWOZKUJQEJX-AWEZNQCLSA-N 1 1 265.422 3.121 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](CC(C)C)c1ccccn1 ZINC000160064657 372208398 /nfs/dbraw/zinc/20/83/98/372208398.db2.gz YVKNTNYZBIPXCX-WBVHZDCISA-N 1 1 277.456 3.489 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000160064657 372208402 /nfs/dbraw/zinc/20/84/02/372208402.db2.gz YVKNTNYZBIPXCX-WBVHZDCISA-N 1 1 277.456 3.489 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](CC(C)C)c2ccccc2)[nH]1 ZINC000160274399 372231731 /nfs/dbraw/zinc/23/17/31/372231731.db2.gz XDMITWWFHPABQF-AWEZNQCLSA-N 1 1 272.396 3.244 20 70 CGIDMO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCN(C)C ZINC000159877456 372190627 /nfs/dbraw/zinc/19/06/27/372190627.db2.gz NWARPRCONHMWQA-ACCUITESSA-N 1 1 266.816 3.285 20 70 CGIDMO C/C(=C\c1ccc(Cl)cc1)CNCCC[NH+](C)C ZINC000159877456 372190636 /nfs/dbraw/zinc/19/06/36/372190636.db2.gz NWARPRCONHMWQA-ACCUITESSA-N 1 1 266.816 3.285 20 70 CGIDMO CC(C)C[N@H+]1CC[C@H](CNc2nc(C(C)(C)C)ns2)C1 ZINC000159944420 372196845 /nfs/dbraw/zinc/19/68/45/372196845.db2.gz QLYSEZBPYAFVRT-GFCCVEGCSA-N 1 1 296.484 3.225 20 70 CGIDMO CNC(=O)C(C)(C)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000161078262 372300024 /nfs/dbraw/zinc/30/00/24/372300024.db2.gz TZKVWFFLRRCWRL-UHFFFAOYSA-N 1 1 291.782 3.072 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000160584882 372259408 /nfs/dbraw/zinc/25/94/08/372259408.db2.gz PQOBGWPTMUUGMZ-KBPBESRZSA-N 1 1 292.423 3.390 20 70 CGIDMO c1nc2ccccn2c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000160594303 372260971 /nfs/dbraw/zinc/26/09/71/372260971.db2.gz AAWGCCBWKQVZHT-KRWDZBQOSA-N 1 1 291.398 3.399 20 70 CGIDMO C[C@@H]1C[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000160658501 372266905 /nfs/dbraw/zinc/26/69/05/372266905.db2.gz MUSNNEZPNJRIOZ-HIFRSBDPSA-N 1 1 280.456 3.144 20 70 CGIDMO CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000160872187 372283464 /nfs/dbraw/zinc/28/34/64/372283464.db2.gz FOCDCNTZKHFGGS-UHFFFAOYSA-N 1 1 272.348 3.178 20 70 CGIDMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000160872187 372283471 /nfs/dbraw/zinc/28/34/71/372283471.db2.gz FOCDCNTZKHFGGS-UHFFFAOYSA-N 1 1 272.348 3.178 20 70 CGIDMO CC[C@H](C)[N@H+](C)CCNCc1cccc2cccnc21 ZINC000217395800 376173873 /nfs/dbraw/zinc/17/38/73/376173873.db2.gz XUYRRUXOEZLFJZ-AWEZNQCLSA-N 1 1 271.408 3.055 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNCc1cccc2cccnc21 ZINC000217395800 376173876 /nfs/dbraw/zinc/17/38/76/376173876.db2.gz XUYRRUXOEZLFJZ-AWEZNQCLSA-N 1 1 271.408 3.055 20 70 CGIDMO FC(F)(F)c1ccccc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217643561 376176500 /nfs/dbraw/zinc/17/65/00/376176500.db2.gz NVQLGXPKROHVPR-CABCVRRESA-N 1 1 298.352 3.422 20 70 CGIDMO FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217643561 376176507 /nfs/dbraw/zinc/17/65/07/376176507.db2.gz NVQLGXPKROHVPR-CABCVRRESA-N 1 1 298.352 3.422 20 70 CGIDMO COc1ccc(C)cc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217677821 376180007 /nfs/dbraw/zinc/18/00/07/376180007.db2.gz LPIUWFRFLIXYKC-XIRDDKMYSA-N 1 1 288.435 3.281 20 70 CGIDMO C[NH+](C)C1(CNCc2cccc3cc[nH]c32)CCCC1 ZINC000218079265 376184582 /nfs/dbraw/zinc/18/45/82/376184582.db2.gz UKXYZUMQLHETBF-UHFFFAOYSA-N 1 1 271.408 3.132 20 70 CGIDMO C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000161377793 392584706 /nfs/dbraw/zinc/58/47/06/392584706.db2.gz LPUOVRWECJGQHX-CVEARBPZSA-N 1 1 250.430 3.127 20 70 CGIDMO C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000161377793 392584710 /nfs/dbraw/zinc/58/47/10/392584710.db2.gz LPUOVRWECJGQHX-CVEARBPZSA-N 1 1 250.430 3.127 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCCc2nc(C)sc21 ZINC000160132070 280100917 /nfs/dbraw/zinc/10/09/17/280100917.db2.gz SLYJTDONJLSXKD-DGCLKSJQSA-N 1 1 281.469 3.149 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000160132070 280100919 /nfs/dbraw/zinc/10/09/19/280100919.db2.gz SLYJTDONJLSXKD-DGCLKSJQSA-N 1 1 281.469 3.149 20 70 CGIDMO CCCCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000161027152 321861283 /nfs/dbraw/zinc/86/12/83/321861283.db2.gz SNASCUAXQMKAQG-IAQYHMDHSA-N 1 1 298.377 3.310 20 70 CGIDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879553 521733155 /nfs/dbraw/zinc/73/31/55/521733155.db2.gz WHRSHVDZHDFYOC-ZFWWWQNUSA-N 1 1 289.448 3.440 20 70 CGIDMO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159533553 372151671 /nfs/dbraw/zinc/15/16/71/372151671.db2.gz JVFHLQNGMMCJHH-WDEREUQCSA-N 1 1 298.377 3.309 20 70 CGIDMO COCCCCC[N@@H+](CCc1nccs1)C(C)C ZINC000159804959 372181041 /nfs/dbraw/zinc/18/10/41/372181041.db2.gz PPOMMVCFDJIBKJ-UHFFFAOYSA-N 1 1 270.442 3.213 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2)n1 ZINC000159795678 372181809 /nfs/dbraw/zinc/18/18/09/372181809.db2.gz HQIFMNDUXWXJKH-KRWDZBQOSA-N 1 1 295.386 3.166 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2)n1 ZINC000159795678 372181812 /nfs/dbraw/zinc/18/18/12/372181812.db2.gz HQIFMNDUXWXJKH-KRWDZBQOSA-N 1 1 295.386 3.166 20 70 CGIDMO C[C@@H]([N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1)C1(C)CC1 ZINC000160097528 372213200 /nfs/dbraw/zinc/21/32/00/372213200.db2.gz QDROGSXWEMHZFT-CQSZACIVSA-N 1 1 294.483 3.392 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](CC(C)C)c2ccccc2)[nH]1 ZINC000160274538 372231203 /nfs/dbraw/zinc/23/12/03/372231203.db2.gz XDMITWWFHPABQF-CQSZACIVSA-N 1 1 272.396 3.244 20 70 CGIDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C)cn1 ZINC000159859921 372187539 /nfs/dbraw/zinc/18/75/39/372187539.db2.gz LYQBQUFVIYUEMH-UHFFFAOYSA-N 1 1 270.376 3.073 20 70 CGIDMO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160983315 372293084 /nfs/dbraw/zinc/29/30/84/372293084.db2.gz ZRSNSTHBPLQPNC-GASCZTMLSA-N 1 1 269.392 3.265 20 70 CGIDMO COc1ccc(C[N@@H+](C)CCOCC2CC2)cc1Cl ZINC000161015427 372294778 /nfs/dbraw/zinc/29/47/78/372294778.db2.gz HWUBOASUVJNRIX-UHFFFAOYSA-N 1 1 283.799 3.207 20 70 CGIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033738 372296679 /nfs/dbraw/zinc/29/66/79/372296679.db2.gz VMQUIDDPJVRNQL-AVGNSLFASA-N 1 1 252.427 3.272 20 70 CGIDMO Cc1cc(N[C@H]2CCO[C@H](c3ccccc3)C2)nc(C)[nH+]1 ZINC000160528827 372255438 /nfs/dbraw/zinc/25/54/38/372255438.db2.gz NJTMZGSOXWXYTN-HOTGVXAUSA-N 1 1 283.375 3.426 20 70 CGIDMO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(Cl)cc2)n1 ZINC000160541895 372255718 /nfs/dbraw/zinc/25/57/18/372255718.db2.gz IRGWRTSRMRPDDB-SNVBAGLBSA-N 1 1 291.782 3.249 20 70 CGIDMO C[C@@H]1C[C@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000160658254 372266069 /nfs/dbraw/zinc/26/60/69/372266069.db2.gz MUSNNEZPNJRIOZ-UKRRQHHQSA-N 1 1 280.456 3.144 20 70 CGIDMO CCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000160815317 372277508 /nfs/dbraw/zinc/27/75/08/372277508.db2.gz WAXIVDROTWTWQK-NVXWUHKLSA-N 1 1 290.451 3.438 20 70 CGIDMO CCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160815317 372277511 /nfs/dbraw/zinc/27/75/11/372277511.db2.gz WAXIVDROTWTWQK-NVXWUHKLSA-N 1 1 290.451 3.438 20 70 CGIDMO CCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000160815317 372277515 /nfs/dbraw/zinc/27/75/15/372277515.db2.gz WAXIVDROTWTWQK-NVXWUHKLSA-N 1 1 290.451 3.438 20 70 CGIDMO CC[C@H](C)[N@H+](C)CCNCc1ccc2ncccc2c1 ZINC000217376794 376172645 /nfs/dbraw/zinc/17/26/45/376172645.db2.gz WMCWAHAGPSKFRC-AWEZNQCLSA-N 1 1 271.408 3.055 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc2ncccc2c1 ZINC000217376794 376172652 /nfs/dbraw/zinc/17/26/52/376172652.db2.gz WMCWAHAGPSKFRC-AWEZNQCLSA-N 1 1 271.408 3.055 20 70 CGIDMO Cc1ccccc1[C@@H](C)[NH2+]Cc1csc(N(C)C)n1 ZINC000159750631 542150797 /nfs/dbraw/zinc/15/07/97/542150797.db2.gz HFEZDKYBWPPKMN-GFCCVEGCSA-N 1 1 275.421 3.368 20 70 CGIDMO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687954 392993777 /nfs/dbraw/zinc/99/37/77/392993777.db2.gz AJIFWQUCXMDEPG-ULQDDVLXSA-N 1 1 258.409 3.354 20 70 CGIDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217687954 392993783 /nfs/dbraw/zinc/99/37/83/392993783.db2.gz AJIFWQUCXMDEPG-ULQDDVLXSA-N 1 1 258.409 3.354 20 70 CGIDMO CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000218202860 263088134 /nfs/dbraw/zinc/08/81/34/263088134.db2.gz LVZZMGVXSHNERB-HZPDHXFCSA-N 1 1 275.392 3.208 20 70 CGIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160487312 524893910 /nfs/dbraw/zinc/89/39/10/524893910.db2.gz JBCHIOHHXHREAX-ZBFHGGJFSA-N 1 1 290.476 3.241 20 70 CGIDMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cncs1 ZINC000161103802 525308765 /nfs/dbraw/zinc/30/87/65/525308765.db2.gz NGMNAIUXNSEOJB-VIFPVBQESA-N 1 1 295.795 3.086 20 70 CGIDMO c1sc(C2CC2)nc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000161410425 526631326 /nfs/dbraw/zinc/63/13/26/526631326.db2.gz NJWDCADJQLLJJI-NSHDSACASA-N 1 1 278.421 3.021 20 70 CGIDMO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)CC)c1 ZINC000161320852 528231744 /nfs/dbraw/zinc/23/17/44/528231744.db2.gz DQFYPXTVBHTXMM-HNNXBMFYSA-N 1 1 288.391 3.092 20 70 CGIDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)CC)c1 ZINC000161320852 528231747 /nfs/dbraw/zinc/23/17/47/528231747.db2.gz DQFYPXTVBHTXMM-HNNXBMFYSA-N 1 1 288.391 3.092 20 70 CGIDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000159981265 232242446 /nfs/dbraw/zinc/24/24/46/232242446.db2.gz PYUXLTSCNVWTBE-DOTOQJQBSA-N 1 1 261.409 3.245 20 70 CGIDMO CC[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000160130428 346169819 /nfs/dbraw/zinc/16/98/19/346169819.db2.gz GCNNKGGWKZXYNK-DOTOQJQBSA-N 1 1 288.435 3.089 20 70 CGIDMO CC[N@@H+](CCc1nccs1)Cc1cnc(Cl)s1 ZINC000159365118 372136351 /nfs/dbraw/zinc/13/63/51/372136351.db2.gz OINAKYOIBBPAKV-UHFFFAOYSA-N 1 1 287.841 3.318 20 70 CGIDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000159550898 372154527 /nfs/dbraw/zinc/15/45/27/372154527.db2.gz ZRBVJNHBLCXATQ-OAHLLOKOSA-N 1 1 294.483 3.439 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCc2ccncc2)n1 ZINC000159753844 372176307 /nfs/dbraw/zinc/17/63/07/372176307.db2.gz CSGSNGKLUGMGBF-KRWDZBQOSA-N 1 1 267.376 3.165 20 70 CGIDMO COC(=O)c1cc(C[N@@H+](C(C)C)C2CCCCC2)c[nH]1 ZINC000159770707 372178645 /nfs/dbraw/zinc/17/86/45/372178645.db2.gz DNNNPWTUIIQPDW-UHFFFAOYSA-N 1 1 278.396 3.344 20 70 CGIDMO O=C(NCCC1=CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000160254779 372232365 /nfs/dbraw/zinc/23/23/65/372232365.db2.gz BIXQDYXQMDXQEX-SFHVURJKSA-N 1 1 298.430 3.268 20 70 CGIDMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159843189 372187012 /nfs/dbraw/zinc/18/70/12/372187012.db2.gz OJNYJYYGZWTUBJ-KRWDZBQOSA-N 1 1 284.407 3.077 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cccnc2C)cc1 ZINC000159869643 372189133 /nfs/dbraw/zinc/18/91/33/372189133.db2.gz NVFHMYZDTHNSNR-UHFFFAOYSA-N 1 1 256.349 3.031 20 70 CGIDMO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161098132 372299961 /nfs/dbraw/zinc/29/99/61/372299961.db2.gz JLOQWENBUOBATN-XYJFISCASA-N 1 1 272.436 3.445 20 70 CGIDMO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1cncs1 ZINC000160400058 372244783 /nfs/dbraw/zinc/24/47/83/372244783.db2.gz DFBNFTWJTUHQSE-OCCSQVGLSA-N 1 1 281.469 3.304 20 70 CGIDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111659 372302229 /nfs/dbraw/zinc/30/22/29/372302229.db2.gz LWCZMMHXEYBBES-KCXAZCMYSA-N 1 1 264.388 3.349 20 70 CGIDMO COC(C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)OC ZINC000161289729 372314658 /nfs/dbraw/zinc/31/46/58/372314658.db2.gz GPSGXLVGFQYTAG-GOSISDBHSA-N 1 1 297.398 3.405 20 70 CGIDMO C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217491878 376174567 /nfs/dbraw/zinc/17/45/67/376174567.db2.gz PNTPXZZIXQNRDM-DZGCQCFKSA-N 1 1 254.377 3.324 20 70 CGIDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159748238 165468078 /nfs/dbraw/zinc/46/80/78/165468078.db2.gz PZOGHTHCRAQRED-GFCCVEGCSA-N 1 1 296.484 3.004 20 70 CGIDMO O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000218775145 270085510 /nfs/dbraw/zinc/08/55/10/270085510.db2.gz GJUHIQSCYZDPEW-WOJBJXKFSA-N 1 1 295.426 3.297 20 70 CGIDMO CC(C)C[C@H](CNCc1cc(F)cc(F)c1)[NH+](C)C ZINC000159890208 279163374 /nfs/dbraw/zinc/16/33/74/279163374.db2.gz MMCKEAOYPKBMMH-OAHLLOKOSA-N 1 1 270.367 3.031 20 70 CGIDMO Cc1cc(N[C@@H]2CCCc3cc(N)ccc32)nc(C)[nH+]1 ZINC000159477254 280629515 /nfs/dbraw/zinc/62/95/15/280629515.db2.gz MPWSQRRHBCNHOO-OAHLLOKOSA-N 1 1 268.364 3.165 20 70 CGIDMO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159533395 321836517 /nfs/dbraw/zinc/83/65/17/321836517.db2.gz NSQWOKIPXBAADP-NEPJUHHUSA-N 1 1 298.377 3.310 20 70 CGIDMO CCc1noc(C)c1C[N@@H+](CCc1nccs1)C(C)C ZINC000159927174 232242544 /nfs/dbraw/zinc/24/25/44/232242544.db2.gz OZDVXEZYNZXOBZ-UHFFFAOYSA-N 1 1 293.436 3.455 20 70 CGIDMO CC[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)OC ZINC000159510015 372150957 /nfs/dbraw/zinc/15/09/57/372150957.db2.gz IDDJNFOCUFLVJJ-OAHLLOKOSA-N 1 1 276.380 3.040 20 70 CGIDMO C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159596369 372159617 /nfs/dbraw/zinc/15/96/17/372159617.db2.gz DAWYCSJAJNBEDU-SUNKGSAMSA-N 1 1 269.335 3.119 20 70 CGIDMO CC[C@@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)C[C@H](C)O1 ZINC000159616565 372161766 /nfs/dbraw/zinc/16/17/66/372161766.db2.gz YEOCRTAJVNQKJP-GOEBONIOSA-N 1 1 275.392 3.067 20 70 CGIDMO CC[C@@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)C[C@H](C)O1 ZINC000159616565 372161775 /nfs/dbraw/zinc/16/17/75/372161775.db2.gz YEOCRTAJVNQKJP-GOEBONIOSA-N 1 1 275.392 3.067 20 70 CGIDMO CC(C)[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C1CCCCC1 ZINC000159768402 372177404 /nfs/dbraw/zinc/17/74/04/372177404.db2.gz BYOZEBONBLLOBX-UHFFFAOYSA-N 1 1 291.439 3.260 20 70 CGIDMO CC(C)[N@@H+](Cc1cnc2cnccn12)C1CCCCC1 ZINC000159768259 372178016 /nfs/dbraw/zinc/17/80/16/372178016.db2.gz VKASEKZHRJESBU-UHFFFAOYSA-N 1 1 272.396 3.272 20 70 CGIDMO C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCOCC1CC1 ZINC000159764665 372178068 /nfs/dbraw/zinc/17/80/68/372178068.db2.gz QGDJORUCQICJFE-LLVKDONJSA-N 1 1 269.335 3.384 20 70 CGIDMO C[C@H]([N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1)C1(C)CC1 ZINC000160097409 372212390 /nfs/dbraw/zinc/21/23/90/372212390.db2.gz QDROGSXWEMHZFT-AWEZNQCLSA-N 1 1 294.483 3.392 20 70 CGIDMO CCNC(=O)C[N@@H+](CC)C1c2ccccc2-c2ccccc21 ZINC000160121932 372216125 /nfs/dbraw/zinc/21/61/25/372216125.db2.gz KGEAXIMEFRTOLD-UHFFFAOYSA-N 1 1 294.398 3.214 20 70 CGIDMO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000160203274 372223579 /nfs/dbraw/zinc/22/35/79/372223579.db2.gz JYMNWOUKGRPDQF-VYDXJSESSA-N 1 1 284.403 3.451 20 70 CGIDMO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000160321876 372237385 /nfs/dbraw/zinc/23/73/85/372237385.db2.gz OSYREHNPGAIGSV-AEFFLSMTSA-N 1 1 287.403 3.069 20 70 CGIDMO C[C@H](CNCc1coc2ccccc12)C[NH+]1CCCC1 ZINC000159823367 372183958 /nfs/dbraw/zinc/18/39/58/372183958.db2.gz JWVZLBAANINMLJ-CQSZACIVSA-N 1 1 272.392 3.254 20 70 CGIDMO CCc1nnc(C[NH2+]C(C)(C)c2cccc(Cl)c2)[nH]1 ZINC000160450204 372248028 /nfs/dbraw/zinc/24/80/28/372248028.db2.gz HIQKFMSMLUHLKX-UHFFFAOYSA-N 1 1 278.787 3.045 20 70 CGIDMO Cc1ccc(C)c([C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC000160707917 372269384 /nfs/dbraw/zinc/26/93/84/372269384.db2.gz VLNCECZCBDPQGM-KRWDZBQOSA-N 1 1 288.435 3.307 20 70 CGIDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000161281990 372314187 /nfs/dbraw/zinc/31/41/87/372314187.db2.gz PNKOHYHPXMUWMQ-INIZCTEOSA-N 1 1 286.375 3.086 20 70 CGIDMO CC[C@@](C)(O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000161304517 372316566 /nfs/dbraw/zinc/31/65/66/372316566.db2.gz GEDXKELJIXLUSN-GOEBONIOSA-N 1 1 279.449 3.262 20 70 CGIDMO CC(C)CCN(C)c1cc[nH+]cc1Br ZINC000159958398 542152037 /nfs/dbraw/zinc/15/20/37/542152037.db2.gz YBBFHVUQTDISMY-UHFFFAOYSA-N 1 1 257.175 3.326 20 70 CGIDMO CC[C@@H](C)[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161224156 542157831 /nfs/dbraw/zinc/15/78/31/542157831.db2.gz MYJJHBKOOZRUIN-OAHLLOKOSA-N 1 1 297.464 3.112 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNc1nc2ccc(N)cc2s1 ZINC000218729135 542286578 /nfs/dbraw/zinc/28/65/78/542286578.db2.gz DTBQJWMCFZLQDA-JTQLQIEISA-N 1 1 278.425 3.021 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCc2nc(C)sc21 ZINC000160132204 392582340 /nfs/dbraw/zinc/58/23/40/392582340.db2.gz SLYJTDONJLSXKD-WCQYABFASA-N 1 1 281.469 3.149 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000160132204 392582345 /nfs/dbraw/zinc/58/23/45/392582345.db2.gz SLYJTDONJLSXKD-WCQYABFASA-N 1 1 281.469 3.149 20 70 CGIDMO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(Cl)cc2)n1 ZINC000160541768 321853413 /nfs/dbraw/zinc/85/34/13/321853413.db2.gz IRGWRTSRMRPDDB-JTQLQIEISA-N 1 1 291.782 3.249 20 70 CGIDMO CC[N@@H+](CCCO)C1c2ccccc2-c2ccccc21 ZINC000161434398 521034791 /nfs/dbraw/zinc/03/47/91/521034791.db2.gz GIIQKAIAMLRMCT-UHFFFAOYSA-N 1 1 267.372 3.461 20 70 CGIDMO CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000161423267 521157608 /nfs/dbraw/zinc/15/76/08/521157608.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 1 1 276.424 3.001 20 70 CGIDMO CCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000161423267 521157616 /nfs/dbraw/zinc/15/76/16/521157616.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 1 1 276.424 3.001 20 70 CGIDMO COc1ccc(C[N@@H+](C)CCCCn2ccnc2C)cc1 ZINC000161275814 524002439 /nfs/dbraw/zinc/00/24/39/524002439.db2.gz ZWESFWNSFGUGQC-UHFFFAOYSA-N 1 1 287.407 3.112 20 70 CGIDMO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cncs1 ZINC000160865272 525521338 /nfs/dbraw/zinc/52/13/38/525521338.db2.gz AQZZXWQRIJACKB-GFCCVEGCSA-N 1 1 275.421 3.056 20 70 CGIDMO c1ccc2c(c1)CCCN(CCC[NH+]1CCCCC1)C2 ZINC000161007662 526501958 /nfs/dbraw/zinc/50/19/58/526501958.db2.gz SQCZNVDWUYNZOJ-UHFFFAOYSA-N 1 1 272.436 3.311 20 70 CGIDMO c1ccc2c(c1)CCC[N@@H+](CCCN1CCCCC1)C2 ZINC000161007662 526501965 /nfs/dbraw/zinc/50/19/65/526501965.db2.gz SQCZNVDWUYNZOJ-UHFFFAOYSA-N 1 1 272.436 3.311 20 70 CGIDMO c1ccc2c(c1)CCC[N@H+](CCCN1CCCCC1)C2 ZINC000161007662 526501970 /nfs/dbraw/zinc/50/19/70/526501970.db2.gz SQCZNVDWUYNZOJ-UHFFFAOYSA-N 1 1 272.436 3.311 20 70 CGIDMO Cc1nc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217629855 572395377 /nfs/dbraw/zinc/39/53/77/572395377.db2.gz DMJATZLQANXLHV-GDLCADMTSA-N 1 1 279.453 3.037 20 70 CGIDMO CCC[N@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000159780178 372180027 /nfs/dbraw/zinc/18/00/27/372180027.db2.gz FBZPEYBYAQSKSF-LBPRGKRZSA-N 1 1 259.353 3.063 20 70 CGIDMO CCC[N@@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000159780178 372180034 /nfs/dbraw/zinc/18/00/34/372180034.db2.gz FBZPEYBYAQSKSF-LBPRGKRZSA-N 1 1 259.353 3.063 20 70 CGIDMO C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000159791945 372181770 /nfs/dbraw/zinc/18/17/70/372181770.db2.gz XYIGSJCPCPJAIX-HUUCEWRRSA-N 1 1 294.483 3.392 20 70 CGIDMO CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159644838 372165234 /nfs/dbraw/zinc/16/52/34/372165234.db2.gz NIBGIYZBMQRZQU-IMJJTQAJSA-N 1 1 265.372 3.370 20 70 CGIDMO CCCOc1cccc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000159735357 372174076 /nfs/dbraw/zinc/17/40/76/372174076.db2.gz LMXAQRBQJADNBI-MRXNPFEDSA-N 1 1 277.408 3.212 20 70 CGIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767527 372177325 /nfs/dbraw/zinc/17/73/25/372177325.db2.gz PBYQQYMIKQOYOK-CPUCHLNUSA-N 1 1 278.415 3.077 20 70 CGIDMO Cc1nc2ccccn2c1C[NH+]1Cc2ccccc2C1 ZINC000160155592 372218073 /nfs/dbraw/zinc/21/80/73/372218073.db2.gz KQLYPBRXMKMTLG-UHFFFAOYSA-N 1 1 263.344 3.159 20 70 CGIDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160148601 372218152 /nfs/dbraw/zinc/21/81/52/372218152.db2.gz NXHTZBLPDVDNOP-OKILXGFUSA-N 1 1 280.456 3.144 20 70 CGIDMO Cc1nc(CC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cs1 ZINC000160270638 372231077 /nfs/dbraw/zinc/23/10/77/372231077.db2.gz XLCWDCCZQYYSSQ-VIFPVBQESA-N 1 1 294.424 3.025 20 70 CGIDMO Fc1cccc(Cl)c1CSCC[NH+]1CCOCC1 ZINC000159928407 372195127 /nfs/dbraw/zinc/19/51/27/372195127.db2.gz UVSHYMGWQZSBKB-UHFFFAOYSA-N 1 1 289.803 3.045 20 70 CGIDMO C[C@@H]1CC[C@H](C)[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159924779 372195168 /nfs/dbraw/zinc/19/51/68/372195168.db2.gz ZQGRWDCQBJRXKG-CABCVRRESA-N 1 1 294.483 3.392 20 70 CGIDMO CC(C)C[N@H+]1CC[C@@H](CNc2nc(C(C)(C)C)ns2)C1 ZINC000159944558 372196543 /nfs/dbraw/zinc/19/65/43/372196543.db2.gz QLYSEZBPYAFVRT-LBPRGKRZSA-N 1 1 296.484 3.225 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC000160404674 372244817 /nfs/dbraw/zinc/24/48/17/372244817.db2.gz ZONWLVHJWGZLNV-UONOGXRCSA-N 1 1 294.464 3.088 20 70 CGIDMO CC[C@](C)(O)C[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000160734617 372271980 /nfs/dbraw/zinc/27/19/80/372271980.db2.gz XPNSHCLLCINNRR-HNNXBMFYSA-N 1 1 283.437 3.010 20 70 CGIDMO Cc1ccn2c(C[N@@H+](C)Cc3ccc(F)cc3)cnc2c1 ZINC000161145602 372306449 /nfs/dbraw/zinc/30/64/49/372306449.db2.gz XANZNKGOICABRT-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO Cc1ccn2c(C[N@H+](C)Cc3ccc(F)cc3)cnc2c1 ZINC000161145602 372306456 /nfs/dbraw/zinc/30/64/56/372306456.db2.gz XANZNKGOICABRT-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO CSc1ccc(C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000160914664 542156641 /nfs/dbraw/zinc/15/66/41/542156641.db2.gz WDHRYCIVZFAXKI-UHFFFAOYSA-N 1 1 263.406 3.187 20 70 CGIDMO COC(=O)CCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000217223740 392994951 /nfs/dbraw/zinc/99/49/51/392994951.db2.gz JUTFOXNJCPJYDA-AWEZNQCLSA-N 1 1 295.810 3.300 20 70 CGIDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@H]21 ZINC000161306243 277066320 /nfs/dbraw/zinc/06/63/20/277066320.db2.gz VOWLTPNTNPWGNG-HZPDHXFCSA-N 1 1 292.467 3.146 20 70 CGIDMO CCn1cnnc1C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000160008169 321844961 /nfs/dbraw/zinc/84/49/61/321844961.db2.gz PKKLXFRMUYPNDP-XYOKQWHBSA-N 1 1 290.798 3.145 20 70 CGIDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000159981089 534095002 /nfs/dbraw/zinc/09/50/02/534095002.db2.gz PYUXLTSCNVWTBE-RDJZCZTQSA-N 1 1 261.409 3.245 20 70 CGIDMO CC1(O)CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000161224206 520773174 /nfs/dbraw/zinc/77/31/74/520773174.db2.gz UFYWDUGWTBVQDG-UHFFFAOYSA-N 1 1 288.416 3.157 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000160399823 528661815 /nfs/dbraw/zinc/66/18/15/528661815.db2.gz IPEGTLYPABJPBT-HNNXBMFYSA-N 1 1 291.391 3.021 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000160111923 529689867 /nfs/dbraw/zinc/68/98/67/529689867.db2.gz AQSLFMFPYNQDBF-RYUDHWBXSA-N 1 1 270.367 3.346 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000160111923 529689869 /nfs/dbraw/zinc/68/98/69/529689869.db2.gz AQSLFMFPYNQDBF-RYUDHWBXSA-N 1 1 270.367 3.346 20 70 CGIDMO CC[C@H](CC(=O)NC[C@H]1CCC[N@H+]1C)c1ccc(C)cc1 ZINC000160130552 346170139 /nfs/dbraw/zinc/17/01/39/346170139.db2.gz GCNNKGGWKZXYNK-NVXWUHKLSA-N 1 1 288.435 3.089 20 70 CGIDMO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000160993961 188501748 /nfs/dbraw/zinc/50/17/48/188501748.db2.gz ONJCYUYVXKMEFD-CYBMUJFWSA-N 1 1 286.375 3.122 20 70 CGIDMO COc1cccc(CCC[N@H+](C)Cc2cscn2)c1 ZINC000159642194 372164967 /nfs/dbraw/zinc/16/49/67/372164967.db2.gz ICYJCGXFHYMPHH-UHFFFAOYSA-N 1 1 276.405 3.216 20 70 CGIDMO COc1cccc(CCC[N@@H+](C)Cc2cscn2)c1 ZINC000159642194 372164973 /nfs/dbraw/zinc/16/49/73/372164973.db2.gz ICYJCGXFHYMPHH-UHFFFAOYSA-N 1 1 276.405 3.216 20 70 CGIDMO CC1(C)CCCC[C@@H]1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000160133272 372216997 /nfs/dbraw/zinc/21/69/97/372216997.db2.gz XLFABQJVMFXJTB-HUUCEWRRSA-N 1 1 292.467 3.193 20 70 CGIDMO CC1(C)CCCC[C@H]1CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160133150 372217142 /nfs/dbraw/zinc/21/71/42/372217142.db2.gz XLFABQJVMFXJTB-GJZGRUSLSA-N 1 1 292.467 3.193 20 70 CGIDMO CCc1ccc([C@H](C)NCC[N@H+](C)[C@@H](C)CC)o1 ZINC000160152000 372218189 /nfs/dbraw/zinc/21/81/89/372218189.db2.gz BFPGGAYQOHXYJC-STQMWFEESA-N 1 1 252.402 3.223 20 70 CGIDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160001531 372203538 /nfs/dbraw/zinc/20/35/38/372203538.db2.gz DEXUZCPYTMUGJL-UONOGXRCSA-N 1 1 280.456 3.001 20 70 CGIDMO C[NH+](C)[C@H]1CCC[C@@H](N[C@@H]2CCc3ccccc32)C1 ZINC000161034885 372296970 /nfs/dbraw/zinc/29/69/70/372296970.db2.gz BOXOVJHDLKZTBA-HLLBOEOZSA-N 1 1 258.409 3.136 20 70 CGIDMO CCC[N@H+](Cc1c(C)nc2ccccn21)CC1CC1 ZINC000160421068 372246111 /nfs/dbraw/zinc/24/61/11/372246111.db2.gz OXUFRASWLHLTNJ-UHFFFAOYSA-N 1 1 257.381 3.265 20 70 CGIDMO CCC[N@@H+](Cc1ccccc1)Cc1nc(CC)cc(=O)[nH]1 ZINC000160520368 372254051 /nfs/dbraw/zinc/25/40/51/372254051.db2.gz GHPIIXCWPFKHGN-UHFFFAOYSA-N 1 1 285.391 3.157 20 70 CGIDMO C[C@H]1C[C@@H](NCCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811601 372277827 /nfs/dbraw/zinc/27/78/27/372277827.db2.gz HWCOVEHGGDJEHN-RDJZCZTQSA-N 1 1 298.430 3.291 20 70 CGIDMO C[C@H]1C[C@@H](NCCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811601 372277830 /nfs/dbraw/zinc/27/78/30/372277830.db2.gz HWCOVEHGGDJEHN-RDJZCZTQSA-N 1 1 298.430 3.291 20 70 CGIDMO C[N@H+](Cc1cncs1)Cc1cccc(Cl)c1 ZINC000161127809 372304659 /nfs/dbraw/zinc/30/46/59/372304659.db2.gz UQDHWRCJTIBYFF-UHFFFAOYSA-N 1 1 252.770 3.429 20 70 CGIDMO C[N@@H+](Cc1cncs1)Cc1cccc(Cl)c1 ZINC000161127809 372304666 /nfs/dbraw/zinc/30/46/66/372304666.db2.gz UQDHWRCJTIBYFF-UHFFFAOYSA-N 1 1 252.770 3.429 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ccnc(C3CC3)n2)C1 ZINC000161315924 372316479 /nfs/dbraw/zinc/31/64/79/372316479.db2.gz VULBXRXSKYKIOE-AWEZNQCLSA-N 1 1 288.439 3.134 20 70 CGIDMO Cc1[nH+]c2c(n1CC(=O)c1ccc(F)c(F)c1)CCCC2 ZINC000216679268 376166732 /nfs/dbraw/zinc/16/67/32/376166732.db2.gz QEYTUMAYLCZCAU-UHFFFAOYSA-N 1 1 290.313 3.231 20 70 CGIDMO CCn1nccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000159914925 542151647 /nfs/dbraw/zinc/15/16/47/542151647.db2.gz SBNLKOYHQJEVNQ-UHFFFAOYSA-N 1 1 299.296 3.091 20 70 CGIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634213 270085312 /nfs/dbraw/zinc/08/53/12/270085312.db2.gz OEOFXZWPOKCVHF-KYNGSXCRSA-N 1 1 284.447 3.453 20 70 CGIDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634213 270085313 /nfs/dbraw/zinc/08/53/13/270085313.db2.gz OEOFXZWPOKCVHF-KYNGSXCRSA-N 1 1 284.447 3.453 20 70 CGIDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCc1ccccc1 ZINC000159981197 533740270 /nfs/dbraw/zinc/74/02/70/533740270.db2.gz PYUXLTSCNVWTBE-WBVHZDCISA-N 1 1 261.409 3.245 20 70 CGIDMO CCC[C@@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)CCO1 ZINC000161137765 520838411 /nfs/dbraw/zinc/83/84/11/520838411.db2.gz UANORPJCWVXJML-MRXNPFEDSA-N 1 1 275.392 3.069 20 70 CGIDMO CCC[C@@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)CCO1 ZINC000161137765 520838421 /nfs/dbraw/zinc/83/84/21/520838421.db2.gz UANORPJCWVXJML-MRXNPFEDSA-N 1 1 275.392 3.069 20 70 CGIDMO CC1CC[NH+](CCNCc2cc(F)cc(Cl)c2)CC1 ZINC000160912174 521013876 /nfs/dbraw/zinc/01/38/76/521013876.db2.gz UFADSIQHOVAGCC-UHFFFAOYSA-N 1 1 284.806 3.301 20 70 CGIDMO C[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000160876292 525491295 /nfs/dbraw/zinc/49/12/95/525491295.db2.gz LCEKSWFGMVROKQ-LSDHHAIUSA-N 1 1 272.392 3.451 20 70 CGIDMO C[C@@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000160876292 525491298 /nfs/dbraw/zinc/49/12/98/525491298.db2.gz LCEKSWFGMVROKQ-LSDHHAIUSA-N 1 1 272.392 3.451 20 70 CGIDMO CC(C)[C@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000161151824 527759856 /nfs/dbraw/zinc/75/98/56/527759856.db2.gz NGDHCWVXGLAFLH-MRXNPFEDSA-N 1 1 252.446 3.373 20 70 CGIDMO CC(C)[C@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000161151824 527759859 /nfs/dbraw/zinc/75/98/59/527759859.db2.gz NGDHCWVXGLAFLH-MRXNPFEDSA-N 1 1 252.446 3.373 20 70 CGIDMO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)CC)c1 ZINC000161320719 528225685 /nfs/dbraw/zinc/22/56/85/528225685.db2.gz DQFYPXTVBHTXMM-OAHLLOKOSA-N 1 1 288.391 3.092 20 70 CGIDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)CC)c1 ZINC000161320719 528225696 /nfs/dbraw/zinc/22/56/96/528225696.db2.gz DQFYPXTVBHTXMM-OAHLLOKOSA-N 1 1 288.391 3.092 20 70 CGIDMO CC[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OC ZINC000159489134 535802760 /nfs/dbraw/zinc/80/27/60/535802760.db2.gz WQXKKLCCAYSTBF-UYSNPLJNSA-N 1 1 275.392 3.254 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000160898513 282091281 /nfs/dbraw/zinc/09/12/81/282091281.db2.gz PYVQBHRPXWIPKT-STQMWFEESA-N 1 1 257.381 3.263 20 70 CGIDMO C[N@@H+](CCNCc1cc(F)cc(Cl)c1)C1CCCC1 ZINC000160937063 529916874 /nfs/dbraw/zinc/91/68/74/529916874.db2.gz LCDKYCXYMLYWPG-UHFFFAOYSA-N 1 1 284.806 3.443 20 70 CGIDMO CN(CC[NH2+]Cc1cc(F)cc(Cl)c1)C1CCCC1 ZINC000160937063 529916875 /nfs/dbraw/zinc/91/68/75/529916875.db2.gz LCDKYCXYMLYWPG-UHFFFAOYSA-N 1 1 284.806 3.443 20 70 CGIDMO C[N@@H+]1CCC[C@H]1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160983103 530063646 /nfs/dbraw/zinc/06/36/46/530063646.db2.gz GPBQNRVHKFDGEB-NSHDSACASA-N 1 1 290.304 3.028 20 70 CGIDMO C[N@H+]1CCC[C@H]1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160983103 530063647 /nfs/dbraw/zinc/06/36/47/530063647.db2.gz GPBQNRVHKFDGEB-NSHDSACASA-N 1 1 290.304 3.028 20 70 CGIDMO COCCOCCCCNc1[nH+]ccc2ccccc21 ZINC000159398093 346167736 /nfs/dbraw/zinc/16/77/36/346167736.db2.gz VYIQMZWDVASMJE-UHFFFAOYSA-N 1 1 274.364 3.090 20 70 CGIDMO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159459812 372146112 /nfs/dbraw/zinc/14/61/12/372146112.db2.gz QSDHZXYZVBZHGI-WOPDTQHZSA-N 1 1 298.377 3.309 20 70 CGIDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159624115 372163132 /nfs/dbraw/zinc/16/31/32/372163132.db2.gz DBVYQEKDSRCQCF-VXGBXAGGSA-N 1 1 296.484 3.002 20 70 CGIDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCC(C)(C)C2)CC1 ZINC000159654860 372164323 /nfs/dbraw/zinc/16/43/23/372164323.db2.gz OQNYDHUCIGCQDN-UHFFFAOYSA-N 1 1 294.483 3.393 20 70 CGIDMO CCOC[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159677298 372167547 /nfs/dbraw/zinc/16/75/47/372167547.db2.gz VRCYKESFRIEUEO-MRXNPFEDSA-N 1 1 289.419 3.316 20 70 CGIDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCn1ccnc1 ZINC000159688720 372169806 /nfs/dbraw/zinc/16/98/06/372169806.db2.gz RPFZJVXRWPWTLQ-CYBMUJFWSA-N 1 1 269.348 3.322 20 70 CGIDMO C[N@@H+](CCSc1ccc(F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159747068 372175308 /nfs/dbraw/zinc/17/53/08/372175308.db2.gz BQMCOUGTMOBRSY-DOMZBBRYSA-N 1 1 283.412 3.011 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1C ZINC000159753408 372175475 /nfs/dbraw/zinc/17/54/75/372175475.db2.gz NGOBVJMMFNBTSG-UHFFFAOYSA-N 1 1 295.386 3.283 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCn2ccnc2)c1 ZINC000159769832 372178760 /nfs/dbraw/zinc/17/87/60/372178760.db2.gz QCTJTFGOBSFXSR-MRXNPFEDSA-N 1 1 255.365 3.029 20 70 CGIDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000160063554 372209136 /nfs/dbraw/zinc/20/91/36/372209136.db2.gz QRHOMXOSLJVRHY-DOMZBBRYSA-N 1 1 298.883 3.362 20 70 CGIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000160063554 372209140 /nfs/dbraw/zinc/20/91/40/372209140.db2.gz QRHOMXOSLJVRHY-DOMZBBRYSA-N 1 1 298.883 3.362 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccccc1OC ZINC000160086523 372210169 /nfs/dbraw/zinc/21/01/69/372210169.db2.gz ZJWNAUMLVQAIBJ-KBPBESRZSA-N 1 1 264.413 3.076 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccccc1OC ZINC000160086523 372210174 /nfs/dbraw/zinc/21/01/74/372210174.db2.gz ZJWNAUMLVQAIBJ-KBPBESRZSA-N 1 1 264.413 3.076 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)OC(C)(C)C)n1 ZINC000160256158 372231628 /nfs/dbraw/zinc/23/16/28/372231628.db2.gz SDTDUJCOBRYXOF-HNNXBMFYSA-N 1 1 290.407 3.259 20 70 CGIDMO Cc1cccc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000160386442 372243122 /nfs/dbraw/zinc/24/31/22/372243122.db2.gz ANFHVSZXCXJUIT-ALOPSCKCSA-N 1 1 272.436 3.408 20 70 CGIDMO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CC(C)C)no1 ZINC000160331075 372239987 /nfs/dbraw/zinc/23/99/87/372239987.db2.gz GWNSUPBOMWGPGV-CQSZACIVSA-N 1 1 293.411 3.212 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000159812953 372183203 /nfs/dbraw/zinc/18/32/03/372183203.db2.gz QDXNAGMVTXFLGW-INIZCTEOSA-N 1 1 277.408 3.129 20 70 CGIDMO C[N@@H+](CCSc1ccccc1F)C[C@H]1CCC[C@@H]1O ZINC000159840712 372186347 /nfs/dbraw/zinc/18/63/47/372186347.db2.gz PDGVGYQRFLYYFA-OCCSQVGLSA-N 1 1 283.412 3.011 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1 ZINC000159858512 372187769 /nfs/dbraw/zinc/18/77/69/372187769.db2.gz GPUOJGQSJDAMMO-UHFFFAOYSA-N 1 1 287.359 3.041 20 70 CGIDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC(C)(C)C2)CC1 ZINC000159904450 372192214 /nfs/dbraw/zinc/19/22/14/372192214.db2.gz JVCPKOZYPNFBRE-UHFFFAOYSA-N 1 1 280.456 3.003 20 70 CGIDMO COC(C[N@H+]1CCCCC[C@@H]1c1ccccc1)OC ZINC000160622010 372262331 /nfs/dbraw/zinc/26/23/31/372262331.db2.gz RVECDINHOKTEON-OAHLLOKOSA-N 1 1 263.381 3.223 20 70 CGIDMO CC[N@@H+](CCNC(=O)c1ccc(F)c(SC)c1)C(C)C ZINC000160811825 372277774 /nfs/dbraw/zinc/27/77/74/372277774.db2.gz JVAQYZSMINUHCQ-UHFFFAOYSA-N 1 1 298.427 3.008 20 70 CGIDMO COc1ccc(C[N@H+](C)Cc2cccnc2C)c(OC)c1 ZINC000160838459 372282089 /nfs/dbraw/zinc/28/20/89/372282089.db2.gz VXWZYPWEROVOBW-UHFFFAOYSA-N 1 1 286.375 3.039 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cccnc2C)c(OC)c1 ZINC000160838459 372282092 /nfs/dbraw/zinc/28/20/92/372282092.db2.gz VXWZYPWEROVOBW-UHFFFAOYSA-N 1 1 286.375 3.039 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cc(C)c(C)cc1OC(F)F ZINC000161230647 372311435 /nfs/dbraw/zinc/31/14/35/372311435.db2.gz UHQCAUWKKDTKBE-UHFFFAOYSA-N 1 1 287.350 3.109 20 70 CGIDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@@H]21 ZINC000161306358 372316145 /nfs/dbraw/zinc/31/61/45/372316145.db2.gz VOWLTPNTNPWGNG-CVEARBPZSA-N 1 1 292.467 3.146 20 70 CGIDMO CCC[NH+]1CCC(NCc2cccc3cc[nH]c32)CC1 ZINC000218079035 376184780 /nfs/dbraw/zinc/18/47/80/376184780.db2.gz ZWEUAEKYVRYKGX-UHFFFAOYSA-N 1 1 271.408 3.132 20 70 CGIDMO CCCN1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218079035 376184786 /nfs/dbraw/zinc/18/47/86/376184786.db2.gz ZWEUAEKYVRYKGX-UHFFFAOYSA-N 1 1 271.408 3.132 20 70 CGIDMO c1ccc(CCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000159898302 542151844 /nfs/dbraw/zinc/15/18/44/542151844.db2.gz MBDZQJDRLZVXAV-ZWKOTPCHSA-N 1 1 272.436 3.226 20 70 CGIDMO CN1CC[N@@H+](CCOc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000216734326 392992356 /nfs/dbraw/zinc/99/23/56/392992356.db2.gz VWPDVFKUJKSRSZ-LJQANCHMSA-N 1 1 296.414 3.054 20 70 CGIDMO C[N@@H+]1CCN(CCOc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000216734326 392992365 /nfs/dbraw/zinc/99/23/65/392992365.db2.gz VWPDVFKUJKSRSZ-LJQANCHMSA-N 1 1 296.414 3.054 20 70 CGIDMO C[N@H+]1CCN(CCOc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000216734326 392992372 /nfs/dbraw/zinc/99/23/72/392992372.db2.gz VWPDVFKUJKSRSZ-LJQANCHMSA-N 1 1 296.414 3.054 20 70 CGIDMO Cc1cc(C)c(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000218126899 270085469 /nfs/dbraw/zinc/08/54/69/270085469.db2.gz ODXKAJDQIRXZHV-MSOLQXFVSA-N 1 1 272.436 3.328 20 70 CGIDMO Cc1cc(C)c(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1C ZINC000218126899 270085472 /nfs/dbraw/zinc/08/54/72/270085472.db2.gz ODXKAJDQIRXZHV-MSOLQXFVSA-N 1 1 272.436 3.328 20 70 CGIDMO C[NH+]1CCC(N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161475138 277031560 /nfs/dbraw/zinc/03/15/60/277031560.db2.gz GPCWERTZWQGLLW-HNNXBMFYSA-N 1 1 292.398 3.112 20 70 CGIDMO CCC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C(C)C ZINC000161053524 278855674 /nfs/dbraw/zinc/85/56/74/278855674.db2.gz SSPNIMNGDIQESP-KGLIPLIRSA-N 1 1 280.412 3.071 20 70 CGIDMO Cc1cccc(C)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160387944 524261770 /nfs/dbraw/zinc/26/17/70/524261770.db2.gz HVVQQOCDGZYIGP-HZPDHXFCSA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1cccc(C)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160387944 524261780 /nfs/dbraw/zinc/26/17/80/524261780.db2.gz HVVQQOCDGZYIGP-HZPDHXFCSA-N 1 1 258.409 3.020 20 70 CGIDMO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cncs1 ZINC000160865145 525440784 /nfs/dbraw/zinc/44/07/84/525440784.db2.gz AQZZXWQRIJACKB-LBPRGKRZSA-N 1 1 275.421 3.056 20 70 CGIDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000160982445 527388205 /nfs/dbraw/zinc/38/82/05/527388205.db2.gz FJYTXAINGKFMNF-TZMCWYRMSA-N 1 1 298.390 3.341 20 70 CGIDMO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159424725 372143087 /nfs/dbraw/zinc/14/30/87/372143087.db2.gz SRMHIJJZWCQBOE-QWRGUYRKSA-N 1 1 298.377 3.309 20 70 CGIDMO NC(=O)[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000159546808 372154234 /nfs/dbraw/zinc/15/42/34/372154234.db2.gz ZIQLTHIQGKSDSV-IAGOWNOFSA-N 1 1 298.361 3.019 20 70 CGIDMO CCN1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC000159760323 372175891 /nfs/dbraw/zinc/17/58/91/372175891.db2.gz VKKCHOZODIVYBT-PBHICJAKSA-N 1 1 278.415 3.078 20 70 CGIDMO CC[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)Oc1ccccc1F ZINC000160305126 372235287 /nfs/dbraw/zinc/23/52/87/372235287.db2.gz DBPAPNUZBTXZBM-QLFBSQMISA-N 1 1 294.414 3.055 20 70 CGIDMO CC[C@@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)Oc1ccccc1F ZINC000160304762 372235771 /nfs/dbraw/zinc/23/57/71/372235771.db2.gz DBPAPNUZBTXZBM-KFWWJZLASA-N 1 1 294.414 3.055 20 70 CGIDMO C[C@@H]1SCC[N@@H+](CCn2ccnc2)[C@H]1c1ccccc1 ZINC000159834584 372185185 /nfs/dbraw/zinc/18/51/85/372185185.db2.gz YXFMJZNZDCUPCO-GOEBONIOSA-N 1 1 287.432 3.062 20 70 CGIDMO COCc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000159857135 372187648 /nfs/dbraw/zinc/18/76/48/372187648.db2.gz VFTZVMOIFGYKEK-UHFFFAOYSA-N 1 1 285.387 3.474 20 70 CGIDMO C[C@H]1CC[C@H](C)[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159924926 372194483 /nfs/dbraw/zinc/19/44/83/372194483.db2.gz ZQGRWDCQBJRXKG-GJZGRUSLSA-N 1 1 294.483 3.392 20 70 CGIDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC000160444000 372247931 /nfs/dbraw/zinc/24/79/31/372247931.db2.gz MNOJVNWYWUFHRY-UHFFFAOYSA-N 1 1 295.386 3.212 20 70 CGIDMO CCCc1ccc([C@H]([NH2+]Cc2nncn2C)C(C)C)cc1 ZINC000160714379 372269451 /nfs/dbraw/zinc/26/94/51/372269451.db2.gz ZITXLDLVBFFSQI-QGZVFWFLSA-N 1 1 286.423 3.255 20 70 CGIDMO Cn1cnnc1C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000160816288 372277706 /nfs/dbraw/zinc/27/77/06/372277706.db2.gz CJTJELRXSYIULL-UHFFFAOYSA-N 1 1 284.407 3.150 20 70 CGIDMO Cn1cnnc1C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000160816288 372277712 /nfs/dbraw/zinc/27/77/12/372277712.db2.gz CJTJELRXSYIULL-UHFFFAOYSA-N 1 1 284.407 3.150 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1OC ZINC000161219109 372311314 /nfs/dbraw/zinc/31/13/14/372311314.db2.gz VKNACOKVXWPWQI-UHFFFAOYSA-N 1 1 292.206 3.206 20 70 CGIDMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000161282103 372315002 /nfs/dbraw/zinc/31/50/02/372315002.db2.gz PNKOHYHPXMUWMQ-MRXNPFEDSA-N 1 1 286.375 3.086 20 70 CGIDMO Clc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000217455682 376174260 /nfs/dbraw/zinc/17/42/60/376174260.db2.gz FPQMQVIUYGKRGX-NEPJUHHUSA-N 1 1 292.814 3.046 20 70 CGIDMO C[N@H+]1CCC[C@@H](CN[C@@H](c2ccco2)c2ccccc2)C1 ZINC000217569855 376178087 /nfs/dbraw/zinc/17/80/87/376178087.db2.gz ZMMUNDYXXKULLU-MAUKXSAKSA-N 1 1 284.403 3.300 20 70 CGIDMO CC(C)[NH+]1CCC(NCc2cccc3cc[nH]c32)CC1 ZINC000218078800 376184495 /nfs/dbraw/zinc/18/44/95/376184495.db2.gz GRTVKYPNTLAUOX-UHFFFAOYSA-N 1 1 271.408 3.130 20 70 CGIDMO CC(C)N1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218078800 376184505 /nfs/dbraw/zinc/18/45/05/376184505.db2.gz GRTVKYPNTLAUOX-UHFFFAOYSA-N 1 1 271.408 3.130 20 70 CGIDMO COc1cc(C)ccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218130286 376185093 /nfs/dbraw/zinc/18/50/93/376185093.db2.gz JUXKBJODIHYYCZ-XIRDDKMYSA-N 1 1 288.435 3.281 20 70 CGIDMO Cc1cccc(N[C@H]2CCCc3cc(N)ccc32)[nH+]1 ZINC000159493895 274796201 /nfs/dbraw/zinc/79/62/01/274796201.db2.gz MTCLGCCMWBPCEX-HNNXBMFYSA-N 1 1 253.349 3.462 20 70 CGIDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879810 521732685 /nfs/dbraw/zinc/73/26/85/521732685.db2.gz WHRSHVDZHDFYOC-HIFRSBDPSA-N 1 1 289.448 3.440 20 70 CGIDMO C[N@@H+](CCC1CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160928646 522705735 /nfs/dbraw/zinc/70/57/35/522705735.db2.gz BNINTDZPOGRKRL-UHFFFAOYSA-N 1 1 280.456 3.003 20 70 CGIDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000160896729 525255995 /nfs/dbraw/zinc/25/59/95/525255995.db2.gz NDWPMAZYECRMGJ-MRXNPFEDSA-N 1 1 299.418 3.462 20 70 CGIDMO Cc1nc(C(C)C)sc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000161441494 526676707 /nfs/dbraw/zinc/67/67/07/526676707.db2.gz WFIMRLDEBCNMQR-LLVKDONJSA-N 1 1 281.469 3.320 20 70 CGIDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000217665708 572869229 /nfs/dbraw/zinc/86/92/29/572869229.db2.gz LMPHKVODNGAGTR-CQSZACIVSA-N 1 1 286.419 3.378 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000160633592 529566082 /nfs/dbraw/zinc/56/60/82/529566082.db2.gz XNZINYRZSAFGQW-OAHLLOKOSA-N 1 1 283.375 3.082 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000160633592 529566083 /nfs/dbraw/zinc/56/60/83/529566083.db2.gz XNZINYRZSAFGQW-OAHLLOKOSA-N 1 1 283.375 3.082 20 70 CGIDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000160982550 282200607 /nfs/dbraw/zinc/20/06/07/282200607.db2.gz FJYTXAINGKFMNF-OCCSQVGLSA-N 1 1 298.390 3.341 20 70 CGIDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000217937311 346291676 /nfs/dbraw/zinc/29/16/76/346291676.db2.gz VVELMJUFCUENGZ-PBHICJAKSA-N 1 1 286.419 3.271 20 70 CGIDMO C[C@H]1SCC[N@@H+](CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000159834724 291260368 /nfs/dbraw/zinc/26/03/68/291260368.db2.gz YXFMJZNZDCUPCO-ZBFHGGJFSA-N 1 1 287.432 3.062 20 70 CGIDMO CC(C)[N@@H+](CCC(=O)OC(C)(C)C)CCc1nccs1 ZINC000159777172 372180322 /nfs/dbraw/zinc/18/03/22/372180322.db2.gz QOJXYBUQLCRZHY-UHFFFAOYSA-N 1 1 298.452 3.128 20 70 CGIDMO C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159596236 372159897 /nfs/dbraw/zinc/15/98/97/372159897.db2.gz DAWYCSJAJNBEDU-MJVIPROJSA-N 1 1 269.335 3.119 20 70 CGIDMO C[C@@H](C1CC1)[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000159685201 372167728 /nfs/dbraw/zinc/16/77/28/372167728.db2.gz ARIHTUXWCYBJSY-ZDUSSCGKSA-N 1 1 255.365 3.210 20 70 CGIDMO c1coc(-c2noc(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000159697448 372170629 /nfs/dbraw/zinc/17/06/29/372170629.db2.gz BYKLWIFSRKLICH-RYUDHWBXSA-N 1 1 273.336 3.094 20 70 CGIDMO C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000160063696 372209208 /nfs/dbraw/zinc/20/92/08/372209208.db2.gz QRHOMXOSLJVRHY-WFASDCNBSA-N 1 1 298.883 3.362 20 70 CGIDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000160063696 372209211 /nfs/dbraw/zinc/20/92/11/372209211.db2.gz QRHOMXOSLJVRHY-WFASDCNBSA-N 1 1 298.883 3.362 20 70 CGIDMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)s1 ZINC000160078845 372210341 /nfs/dbraw/zinc/21/03/41/372210341.db2.gz XIUQKYXLPWNBLB-OAHLLOKOSA-N 1 1 273.405 3.492 20 70 CGIDMO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccco2)cn1 ZINC000160092949 372212336 /nfs/dbraw/zinc/21/23/36/372212336.db2.gz DIVUOFPNUFPDPZ-GFCCVEGCSA-N 1 1 260.337 3.313 20 70 CGIDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(OC)cc2)c1C ZINC000159857747 372186437 /nfs/dbraw/zinc/18/64/37/372186437.db2.gz RDUDGIAFLODEGD-UHFFFAOYSA-N 1 1 287.407 3.160 20 70 CGIDMO c1cn(CC[N@@H+](Cc2ccoc2)C2CCCCC2)cn1 ZINC000159849397 372186882 /nfs/dbraw/zinc/18/68/82/372186882.db2.gz YGKLMBGWFVRIJH-UHFFFAOYSA-N 1 1 273.380 3.311 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCOC(C)(C)C)n1 ZINC000159842214 372187566 /nfs/dbraw/zinc/18/75/66/372187566.db2.gz IZPDSJBKULLAGD-OAHLLOKOSA-N 1 1 262.397 3.342 20 70 CGIDMO C[C@H](SCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000159935909 372196742 /nfs/dbraw/zinc/19/67/42/372196742.db2.gz BKBWGHDEONIXQO-LBPRGKRZSA-N 1 1 285.840 3.466 20 70 CGIDMO CCC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159953423 372198772 /nfs/dbraw/zinc/19/87/72/372198772.db2.gz NMSRQTRNNAYLEW-HNNXBMFYSA-N 1 1 297.402 3.321 20 70 CGIDMO CCC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159953423 372198777 /nfs/dbraw/zinc/19/87/77/372198777.db2.gz NMSRQTRNNAYLEW-HNNXBMFYSA-N 1 1 297.402 3.321 20 70 CGIDMO Cc1cc(N[C@@H]2CCO[C@H](c3ccccc3)C2)nc(C)[nH+]1 ZINC000160528698 372255675 /nfs/dbraw/zinc/25/56/75/372255675.db2.gz NJTMZGSOXWXYTN-CVEARBPZSA-N 1 1 283.375 3.426 20 70 CGIDMO C[C@@H](C1CC1)[N@@H+](CCCN1CCCCC1)C1CC1 ZINC000160578303 372259870 /nfs/dbraw/zinc/25/98/70/372259870.db2.gz CAADLFTYEXUTND-AWEZNQCLSA-N 1 1 250.430 3.125 20 70 CGIDMO C[N@H+](Cc1cncs1)Cc1ccc(Cl)cc1 ZINC000160806279 372277577 /nfs/dbraw/zinc/27/75/77/372277577.db2.gz OXHJDKUBIDOAKT-UHFFFAOYSA-N 1 1 252.770 3.429 20 70 CGIDMO C[N@@H+](Cc1cncs1)Cc1ccc(Cl)cc1 ZINC000160806279 372277582 /nfs/dbraw/zinc/27/75/82/372277582.db2.gz OXHJDKUBIDOAKT-UHFFFAOYSA-N 1 1 252.770 3.429 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccncc2)o1 ZINC000160871030 372283135 /nfs/dbraw/zinc/28/31/35/372283135.db2.gz MUFZPERMBNLAQT-UHFFFAOYSA-N 1 1 296.374 3.016 20 70 CGIDMO C[C@H](CN[C@H](C)c1cncs1)[N@@H+](C)Cc1ccccc1 ZINC000160862319 372284013 /nfs/dbraw/zinc/28/40/13/372284013.db2.gz DRPAJBUKHALZNH-ZIAGYGMSSA-N 1 1 289.448 3.314 20 70 CGIDMO Cc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)nc1 ZINC000161417135 372322849 /nfs/dbraw/zinc/32/28/49/372322849.db2.gz GHBIZHIMXZZZND-UHFFFAOYSA-N 1 1 281.403 3.021 20 70 CGIDMO COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000217666624 376177204 /nfs/dbraw/zinc/17/72/04/376177204.db2.gz CVJPDNMNBFYHAI-MAZHCROVSA-N 1 1 292.398 3.112 20 70 CGIDMO COc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1F ZINC000217666624 376177211 /nfs/dbraw/zinc/17/72/11/376177211.db2.gz CVJPDNMNBFYHAI-MAZHCROVSA-N 1 1 292.398 3.112 20 70 CGIDMO CCCN1CCC([NH2+]CCc2cc(C)cc(C)c2)CC1 ZINC000159449939 542149644 /nfs/dbraw/zinc/14/96/44/542149644.db2.gz RGJHMKVEPBZMLP-UHFFFAOYSA-N 1 1 274.452 3.310 20 70 CGIDMO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000218731461 270085588 /nfs/dbraw/zinc/08/55/88/270085588.db2.gz MHBFZEZINYUMQO-YESZJQIVSA-N 1 1 295.373 3.480 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNCc1cccc2c1OC(C)(C)C2 ZINC000217798306 270085621 /nfs/dbraw/zinc/08/56/21/270085621.db2.gz FJBADPWZWCCXBK-AWEZNQCLSA-N 1 1 290.451 3.220 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217798306 270085622 /nfs/dbraw/zinc/08/56/22/270085622.db2.gz FJBADPWZWCCXBK-AWEZNQCLSA-N 1 1 290.451 3.220 20 70 CGIDMO Cc1nccn1CCCC[N@H+](C)Cc1ccoc1C ZINC000161475280 527391640 /nfs/dbraw/zinc/39/16/40/527391640.db2.gz RSQPYXDHCKPVJZ-UHFFFAOYSA-N 1 1 261.369 3.005 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)cc1OC ZINC000160136630 529343730 /nfs/dbraw/zinc/34/37/30/529343730.db2.gz CNUONRHGRRMYSV-KGLIPLIRSA-N 1 1 294.439 3.085 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000160136630 529343732 /nfs/dbraw/zinc/34/37/32/529343732.db2.gz CNUONRHGRRMYSV-KGLIPLIRSA-N 1 1 294.439 3.085 20 70 CGIDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(F)cc32)C1 ZINC000161080309 572882655 /nfs/dbraw/zinc/88/26/55/572882655.db2.gz UYVVPMKYYKJZCN-ZMSDIMECSA-N 1 1 276.399 3.275 20 70 CGIDMO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(Cl)cc2F)C1 ZINC000160789342 346172132 /nfs/dbraw/zinc/17/21/32/346172132.db2.gz HMPWKSGEPQQEEE-LBPRGKRZSA-N 1 1 284.806 3.299 20 70 CGIDMO CCn1c(C)cc(C(=O)Cn2c[nH+]c3c2CCCC3)c1C ZINC000216705318 138492305 /nfs/dbraw/zinc/49/23/05/138492305.db2.gz MSBCAXNWCBSXMW-UHFFFAOYSA-N 1 1 285.391 3.083 20 70 CGIDMO CCOCCC[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000159409242 372141447 /nfs/dbraw/zinc/14/14/47/372141447.db2.gz WROMULDKMKATDU-UHFFFAOYSA-N 1 1 263.381 3.086 20 70 CGIDMO O=C1C[C@@H](c2ccccc2)[N@@H+](CCC2CCCC2)CCN1 ZINC000159483423 372147246 /nfs/dbraw/zinc/14/72/46/372147246.db2.gz XUYHCQIMZKGUHM-KRWDZBQOSA-N 1 1 286.419 3.130 20 70 CGIDMO C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1O ZINC000159470094 372147852 /nfs/dbraw/zinc/14/78/52/372147852.db2.gz TUHUCALVAAKYBR-GUYCJALGSA-N 1 1 255.361 3.043 20 70 CGIDMO Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159527212 372152621 /nfs/dbraw/zinc/15/26/21/372152621.db2.gz NXCQMLNLKVSQCY-STQMWFEESA-N 1 1 294.826 3.043 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000159791430 372181617 /nfs/dbraw/zinc/18/16/17/372181617.db2.gz KCTAHZVAXFHAQA-INIZCTEOSA-N 1 1 253.349 3.122 20 70 CGIDMO C[C@H](C1CC1)[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000159685346 372168555 /nfs/dbraw/zinc/16/85/55/372168555.db2.gz ARIHTUXWCYBJSY-CYBMUJFWSA-N 1 1 255.365 3.210 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(Cl)cc2)[nH]1 ZINC000160287091 372234092 /nfs/dbraw/zinc/23/40/92/372234092.db2.gz OIPLHVOSCKYNGZ-LBPRGKRZSA-N 1 1 278.787 3.261 20 70 CGIDMO CC(C)c1ccc(OCC[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000160326352 372237843 /nfs/dbraw/zinc/23/78/43/372237843.db2.gz IRCIGAFNDRJOBH-DOTOQJQBSA-N 1 1 290.451 3.261 20 70 CGIDMO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CCC1 ZINC000159826522 372184064 /nfs/dbraw/zinc/18/40/64/372184064.db2.gz ISRNNYIDDILTGP-UHFFFAOYSA-N 1 1 294.196 3.310 20 70 CGIDMO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C1CCC1 ZINC000159826522 372184071 /nfs/dbraw/zinc/18/40/71/372184071.db2.gz ISRNNYIDDILTGP-UHFFFAOYSA-N 1 1 294.196 3.310 20 70 CGIDMO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C1CCC1 ZINC000159826522 372184075 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ZMMUNDYXXKULLU-CRAIPNDOSA-N 1 1 284.403 3.300 20 70 CGIDMO CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160847496 542156577 /nfs/dbraw/zinc/15/65/77/542156577.db2.gz BNBMNBZDQGKYCD-GJZGRUSLSA-N 1 1 267.800 3.494 20 70 CGIDMO COc1ccc([C@@H](C)N(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000161354159 533100589 /nfs/dbraw/zinc/10/05/89/533100589.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 1 1 276.424 3.172 20 70 CGIDMO COc1ccc([C@@H](C)N(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000161354159 533100593 /nfs/dbraw/zinc/10/05/93/533100593.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 1 1 276.424 3.172 20 70 CGIDMO C[C@@H]1SCC[N@@H+](CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000159834871 279072578 /nfs/dbraw/zinc/07/25/78/279072578.db2.gz YXFMJZNZDCUPCO-HOCLYGCPSA-N 1 1 287.432 3.062 20 70 CGIDMO CCSCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000159584579 280036107 /nfs/dbraw/zinc/03/61/07/280036107.db2.gz HVBNTVMYQCCIIW-CQSZACIVSA-N 1 1 269.410 3.014 20 70 CGIDMO C[C@H](SCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000159996314 321844551 /nfs/dbraw/zinc/84/45/51/321844551.db2.gz STYCTOHPSGDPDO-NSHDSACASA-N 1 1 287.375 3.091 20 70 CGIDMO CC(C)c1nnc(C[N@@H+](CCc2nccs2)C(C)C)o1 ZINC000159887834 528424128 /nfs/dbraw/zinc/42/41/28/528424128.db2.gz NJLGTEADDBHYDB-UHFFFAOYSA-N 1 1 294.424 3.103 20 70 CGIDMO CC(C)c1nnc(C[N@H+](CCc2nccs2)C(C)C)o1 ZINC000159887834 528424130 /nfs/dbraw/zinc/42/41/30/528424130.db2.gz NJLGTEADDBHYDB-UHFFFAOYSA-N 1 1 294.424 3.103 20 70 CGIDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159662721 372166696 /nfs/dbraw/zinc/16/66/96/372166696.db2.gz MYXOBCSGNRSRLO-JSGCOSHPSA-N 1 1 287.325 3.298 20 70 CGIDMO CSCCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159712507 372172190 /nfs/dbraw/zinc/17/21/90/372172190.db2.gz FMQQSWGUVUWLRX-AWEZNQCLSA-N 1 1 250.411 3.280 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000160094962 372213215 /nfs/dbraw/zinc/21/32/15/372213215.db2.gz RIJRMVUQWGXSCQ-QWRGUYRKSA-N 1 1 288.357 3.485 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000160094962 372213217 /nfs/dbraw/zinc/21/32/17/372213217.db2.gz RIJRMVUQWGXSCQ-QWRGUYRKSA-N 1 1 288.357 3.485 20 70 CGIDMO Cc1ccc(C(=O)CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000160321753 372237124 /nfs/dbraw/zinc/23/71/24/372237124.db2.gz OSYREHNPGAIGSV-SJLPKXTDSA-N 1 1 287.403 3.069 20 70 CGIDMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160340996 372239694 /nfs/dbraw/zinc/23/96/94/372239694.db2.gz IMMZDYXMSYKPQD-GOSISDBHSA-N 1 1 294.398 3.112 20 70 CGIDMO CC(C)[N@@H+](CCc1nccs1)CCc1ccccn1 ZINC000159914420 372192661 /nfs/dbraw/zinc/19/26/61/372192661.db2.gz QIZAZCGQFKQLHF-UHFFFAOYSA-N 1 1 275.421 3.034 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](c2ccccc2C)C(C)C)[nH]1 ZINC000160425555 372246562 /nfs/dbraw/zinc/24/65/62/372246562.db2.gz ZFQGOORHHDXSEY-INIZCTEOSA-N 1 1 272.396 3.162 20 70 CGIDMO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1C ZINC000160603243 372260951 /nfs/dbraw/zinc/26/09/51/372260951.db2.gz KLNOOCZOAQEJTA-MRXNPFEDSA-N 1 1 288.435 3.154 20 70 CGIDMO C[N@H+](Cc1ccc(Br)cc1)CC1=CCCOC1 ZINC000160802218 372278068 /nfs/dbraw/zinc/27/80/68/372278068.db2.gz VOZAYSGLQCVIDV-UHFFFAOYSA-N 1 1 296.208 3.228 20 70 CGIDMO COCc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000160854055 372282037 /nfs/dbraw/zinc/28/20/37/372282037.db2.gz KSVIDXFSXICJHY-UHFFFAOYSA-N 1 1 259.349 3.366 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc(F)cc1C(F)(F)F ZINC000161236743 372311018 /nfs/dbraw/zinc/31/10/18/372311018.db2.gz DHKWBAQTSKIZNN-UHFFFAOYSA-N 1 1 279.277 3.049 20 70 CGIDMO C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217527229 376175155 /nfs/dbraw/zinc/17/51/55/376175155.db2.gz GLCPLRIIBRRZSK-RYUDHWBXSA-N 1 1 284.350 3.020 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCc2cc(F)ccc21 ZINC000160060110 392580761 /nfs/dbraw/zinc/58/07/61/392580761.db2.gz RFHPJYWLPZOFDA-MLGOLLRUSA-N 1 1 264.388 3.133 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000160060110 392580765 /nfs/dbraw/zinc/58/07/65/392580765.db2.gz RFHPJYWLPZOFDA-MLGOLLRUSA-N 1 1 264.388 3.133 20 70 CGIDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC(C)(C)C ZINC000217767417 270085329 /nfs/dbraw/zinc/08/53/29/270085329.db2.gz LTNWJFLBBZHRBI-VOAKCMCISA-N 1 1 255.402 3.131 20 70 CGIDMO C[C@H](C1CC1)[N@@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000159681206 298260560 /nfs/dbraw/zinc/26/05/60/298260560.db2.gz BZJJJVFNBAPWNY-CQSZACIVSA-N 1 1 269.392 3.221 20 70 CGIDMO Cc1cccc([C@H](C)[NH2+]Cc2ncnn2C(C)C)c1 ZINC000160244134 321849243 /nfs/dbraw/zinc/84/92/43/321849243.db2.gz NZLRWHPQFNIVKO-ZDUSSCGKSA-N 1 1 258.369 3.018 20 70 CGIDMO CC(C)C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160910906 519415992 /nfs/dbraw/zinc/41/59/92/519415992.db2.gz CCUAVJFZBRJABX-CQSZACIVSA-N 1 1 257.381 3.202 20 70 CGIDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cncs1 ZINC000161103914 525412639 /nfs/dbraw/zinc/41/26/39/525412639.db2.gz NGMNAIUXNSEOJB-SECBINFHSA-N 1 1 295.795 3.086 20 70 CGIDMO c1nc2ccccn2c1C[N@H+]1CCC2(C1)CCCCC2 ZINC000160627269 526609258 /nfs/dbraw/zinc/60/92/58/526609258.db2.gz WQODGMMXMYSAQV-UHFFFAOYSA-N 1 1 269.392 3.491 20 70 CGIDMO CCCC[C@H](CCC)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159947749 528922155 /nfs/dbraw/zinc/92/21/55/528922155.db2.gz FIIUCRQFLVGGAG-HNNXBMFYSA-N 1 1 283.460 3.083 20 70 CGIDMO CCCOc1ccc(CNCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000217375210 346291070 /nfs/dbraw/zinc/29/10/70/346291070.db2.gz LHYKWRRUMUQMFU-HNNXBMFYSA-N 1 1 278.440 3.295 20 70 CGIDMO CCCOc1ccc(C[NH2+]CCN(C)[C@@H](C)CC)cc1 ZINC000217375210 346291075 /nfs/dbraw/zinc/29/10/75/346291075.db2.gz LHYKWRRUMUQMFU-HNNXBMFYSA-N 1 1 278.440 3.295 20 70 CGIDMO CC1CCC([N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000218757774 376190305 /nfs/dbraw/zinc/19/03/05/376190305.db2.gz VFYCVQDXOZULII-BDVYOWHSSA-N 1 1 261.409 3.101 20 70 CGIDMO Cc1nccn1CCCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783480 372180109 /nfs/dbraw/zinc/18/01/09/372180109.db2.gz IXOPFFQXFLJLRZ-GOSISDBHSA-N 1 1 283.419 3.461 20 70 CGIDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159662870 372165920 /nfs/dbraw/zinc/16/59/20/372165920.db2.gz MYXOBCSGNRSRLO-OCCSQVGLSA-N 1 1 287.325 3.298 20 70 CGIDMO C[C@@H](c1cccc(F)c1)[N@@H+](C)CCOCC1CC1 ZINC000159768408 372178299 /nfs/dbraw/zinc/17/82/99/372178299.db2.gz NHYOPQNDOHSOLS-LBPRGKRZSA-N 1 1 251.345 3.245 20 70 CGIDMO CC1(C)CCC(CC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000160140473 372216173 /nfs/dbraw/zinc/21/61/73/372216173.db2.gz UCFBIFDYXKADPC-OAHLLOKOSA-N 1 1 292.467 3.193 20 70 CGIDMO CCN1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252535 372229244 /nfs/dbraw/zinc/22/92/44/372229244.db2.gz KCXKDCUPXHLDGW-CJNGLKHVSA-N 1 1 296.842 3.039 20 70 CGIDMO CC[N@@H+]1CC[C@H](NCCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252535 372229248 /nfs/dbraw/zinc/22/92/48/372229248.db2.gz KCXKDCUPXHLDGW-CJNGLKHVSA-N 1 1 296.842 3.039 20 70 CGIDMO CC[N@H+]1CC[C@H](NCCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252535 372229253 /nfs/dbraw/zinc/22/92/53/372229253.db2.gz KCXKDCUPXHLDGW-CJNGLKHVSA-N 1 1 296.842 3.039 20 70 CGIDMO CCCCOCC[N@@H+](CCc1nccs1)C(C)C ZINC000159807641 372183029 /nfs/dbraw/zinc/18/30/29/372183029.db2.gz KLJZBXQEMHXVSW-UHFFFAOYSA-N 1 1 270.442 3.213 20 70 CGIDMO C[C@@H](CNCc1coc2ccccc12)C[NH+]1CCCC1 ZINC000159823234 372184862 /nfs/dbraw/zinc/18/48/62/372184862.db2.gz JWVZLBAANINMLJ-AWEZNQCLSA-N 1 1 272.392 3.254 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccccc2NC(C)=O)cc1 ZINC000159869792 372189625 /nfs/dbraw/zinc/18/96/25/372189625.db2.gz PLKZOQSGGCZDFK-UHFFFAOYSA-N 1 1 298.386 3.286 20 70 CGIDMO CCCN(c1cc[nH+]cc1Br)C1CC1 ZINC000159952029 372198116 /nfs/dbraw/zinc/19/81/16/372198116.db2.gz TVFBQWAZYCJXRI-UHFFFAOYSA-N 1 1 255.159 3.223 20 70 CGIDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc(O)c1 ZINC000160450021 372248395 /nfs/dbraw/zinc/24/83/95/372248395.db2.gz NVPNEVNARVQDPB-UHFFFAOYSA-N 1 1 271.360 3.041 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC(C)(C)CC ZINC000160587534 372261472 /nfs/dbraw/zinc/26/14/72/372261472.db2.gz JIYAGYNTDVSSEU-OLZOCXBDSA-N 1 1 256.434 3.048 20 70 CGIDMO C[C@@H]1C[C@@H](NCCOc2cccc3ccccc32)CC[N@@H+]1C ZINC000160811465 372276802 /nfs/dbraw/zinc/27/68/02/372276802.db2.gz HWCOVEHGGDJEHN-WBVHZDCISA-N 1 1 298.430 3.291 20 70 CGIDMO C[C@@H]1C[C@@H](NCCOc2cccc3ccccc32)CC[N@H+]1C ZINC000160811465 372276813 /nfs/dbraw/zinc/27/68/13/372276813.db2.gz HWCOVEHGGDJEHN-WBVHZDCISA-N 1 1 298.430 3.291 20 70 CGIDMO C[N@H+](Cc1cnc2cnccn12)Cc1ccc(Cl)cc1 ZINC000160807202 372277849 /nfs/dbraw/zinc/27/78/49/372277849.db2.gz LINRHVGLPPHFII-UHFFFAOYSA-N 1 1 286.766 3.015 20 70 CGIDMO C[N@@H+](Cc1cnc2cnccn12)Cc1ccc(Cl)cc1 ZINC000160807202 372277850 /nfs/dbraw/zinc/27/78/50/372277850.db2.gz LINRHVGLPPHFII-UHFFFAOYSA-N 1 1 286.766 3.015 20 70 CGIDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160817289 372278941 /nfs/dbraw/zinc/27/89/41/372278941.db2.gz DIMDMRUWEPYQRJ-HNNXBMFYSA-N 1 1 294.483 3.393 20 70 CGIDMO COCCOc1ccccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000160868212 372282838 /nfs/dbraw/zinc/28/28/38/372282838.db2.gz WBCYXDKANDXJLB-UHFFFAOYSA-N 1 1 289.375 3.245 20 70 CGIDMO COCCOc1ccccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000160868212 372282845 /nfs/dbraw/zinc/28/28/45/372282845.db2.gz WBCYXDKANDXJLB-UHFFFAOYSA-N 1 1 289.375 3.245 20 70 CGIDMO Cc1cccc(C)c1OCCC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000161231797 372310871 /nfs/dbraw/zinc/31/08/71/372310871.db2.gz HVZPOFDBODEVKB-SJORKVTESA-N 1 1 290.451 3.145 20 70 CGIDMO COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000217666794 376176573 /nfs/dbraw/zinc/17/65/73/376176573.db2.gz CVJPDNMNBFYHAI-RCBQFDQVSA-N 1 1 292.398 3.112 20 70 CGIDMO COc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1F ZINC000217666794 376176576 /nfs/dbraw/zinc/17/65/76/376176576.db2.gz CVJPDNMNBFYHAI-RCBQFDQVSA-N 1 1 292.398 3.112 20 70 CGIDMO COC(=O)c1ccccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000217611067 376177444 /nfs/dbraw/zinc/17/74/44/376177444.db2.gz NYYGHBMGIISFCN-OLZOCXBDSA-N 1 1 261.365 3.094 20 70 CGIDMO FC(F)(F)c1ccccc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217643635 376177718 /nfs/dbraw/zinc/17/77/18/376177718.db2.gz NVQLGXPKROHVPR-GJZGRUSLSA-N 1 1 298.352 3.422 20 70 CGIDMO FC(F)(F)c1ccccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217643635 376177724 /nfs/dbraw/zinc/17/77/24/376177724.db2.gz NVQLGXPKROHVPR-GJZGRUSLSA-N 1 1 298.352 3.422 20 70 CGIDMO COc1ccc(Cl)c(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000218052174 270085447 /nfs/dbraw/zinc/08/54/47/270085447.db2.gz DIUICAGOWFFMNE-MISXGVKJSA-N 1 1 282.815 3.489 20 70 CGIDMO CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H](C)C(C)C ZINC000160901627 279003499 /nfs/dbraw/zinc/00/34/99/279003499.db2.gz DBUKXXIQKBQLMS-HUUCEWRRSA-N 1 1 295.471 3.079 20 70 CGIDMO COC(C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)OC ZINC000160619009 522533914 /nfs/dbraw/zinc/53/39/14/522533914.db2.gz KZILWRQRDLSFGI-CYBMUJFWSA-N 1 1 269.772 3.096 20 70 CGIDMO C[C@H]1CCC[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000160635045 524126865 /nfs/dbraw/zinc/12/68/65/524126865.db2.gz JVNILEALBWWLID-YESZJQIVSA-N 1 1 294.483 3.441 20 70 CGIDMO Cc1ccccc1C[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000160526448 525129062 /nfs/dbraw/zinc/12/90/62/525129062.db2.gz SGTKPBWPOODRFY-UHFFFAOYSA-N 1 1 292.386 3.412 20 70 CGIDMO Cn1c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nnc1-c1ccccc1 ZINC000160889748 527056966 /nfs/dbraw/zinc/05/69/66/527056966.db2.gz IYKRZYVBLJBCGK-HOCLYGCPSA-N 1 1 296.418 3.247 20 70 CGIDMO CCCCN(CC)c1cc[nH+]cc1Br ZINC000159949899 528396693 /nfs/dbraw/zinc/39/66/93/528396693.db2.gz RBJXXUPGEYFRKV-UHFFFAOYSA-N 1 1 257.175 3.471 20 70 CGIDMO C(CN1CCC[N@@H+](CC2CCCCC2)CC1)OCC1CC1 ZINC000159471831 346167893 /nfs/dbraw/zinc/16/78/93/346167893.db2.gz AHRNPFCTWKMBMH-UHFFFAOYSA-N 1 1 294.483 3.001 20 70 CGIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159506203 372151204 /nfs/dbraw/zinc/15/12/04/372151204.db2.gz RZCUJCREVFGCRX-UKRRQHHQSA-N 1 1 298.386 3.032 20 70 CGIDMO CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159611477 372160741 /nfs/dbraw/zinc/16/07/41/372160741.db2.gz BWJLUZPRLIQKFT-AWEZNQCLSA-N 1 1 282.472 3.249 20 70 CGIDMO CCCCc1nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159652413 372164863 /nfs/dbraw/zinc/16/48/63/372164863.db2.gz IKKANQWPSRKAKS-OCCSQVGLSA-N 1 1 282.453 3.079 20 70 CGIDMO CCCCc1nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159652413 372164872 /nfs/dbraw/zinc/16/48/72/372164872.db2.gz IKKANQWPSRKAKS-OCCSQVGLSA-N 1 1 282.453 3.079 20 70 CGIDMO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159685409 372167969 /nfs/dbraw/zinc/16/79/69/372167969.db2.gz GHWYXWVKOPOTQA-HOCLYGCPSA-N 1 1 272.392 3.198 20 70 CGIDMO C[N@H+](Cc1ccc(Cl)c2cccnc12)[C@@H](CN)C1CC1 ZINC000159765214 372178321 /nfs/dbraw/zinc/17/83/21/372178321.db2.gz QMQRBXKWSLPQLV-HNNXBMFYSA-N 1 1 289.810 3.057 20 70 CGIDMO C[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@@H](CN)C1CC1 ZINC000159765214 372178328 /nfs/dbraw/zinc/17/83/28/372178328.db2.gz QMQRBXKWSLPQLV-HNNXBMFYSA-N 1 1 289.810 3.057 20 70 CGIDMO CC[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160110906 372215008 /nfs/dbraw/zinc/21/50/08/372215008.db2.gz LUAXXWBHRJLASZ-CQSZACIVSA-N 1 1 280.456 3.003 20 70 CGIDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCn2ccnc2)C1 ZINC000159838944 372185278 /nfs/dbraw/zinc/18/52/78/372185278.db2.gz HHKRLIPLENNQRG-HZPDHXFCSA-N 1 1 269.392 3.070 20 70 CGIDMO Cc1cccc([C@H](C)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000159897664 372193114 /nfs/dbraw/zinc/19/31/14/372193114.db2.gz VZYBKLUUKLDWSF-HOTGVXAUSA-N 1 1 288.435 3.089 20 70 CGIDMO C[C@@H](SCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000159936026 372196884 /nfs/dbraw/zinc/19/68/84/372196884.db2.gz BKBWGHDEONIXQO-GFCCVEGCSA-N 1 1 285.840 3.466 20 70 CGIDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033881 372296199 /nfs/dbraw/zinc/29/61/99/372296199.db2.gz VMQUIDDPJVRNQL-AGIUHOORSA-N 1 1 252.427 3.272 20 70 CGIDMO COc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161039746 372296995 /nfs/dbraw/zinc/29/69/95/372296995.db2.gz AKTPRSRBKBCNBO-YUELXQCFSA-N 1 1 294.414 3.358 20 70 CGIDMO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1cncs1 ZINC000160400326 372243597 /nfs/dbraw/zinc/24/35/97/372243597.db2.gz DFBNFTWJTUHQSE-TZMCWYRMSA-N 1 1 281.469 3.304 20 70 CGIDMO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccco1 ZINC000160415560 372245755 /nfs/dbraw/zinc/24/57/55/372245755.db2.gz KDDYVOPJAXXMKB-ZFWWWQNUSA-N 1 1 264.413 3.441 20 70 CGIDMO C[C@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)CCN1C ZINC000160475882 372250242 /nfs/dbraw/zinc/25/02/42/372250242.db2.gz OMWSFKPFOYIPRP-LSDHHAIUSA-N 1 1 290.476 3.384 20 70 CGIDMO Fc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000160854724 372281384 /nfs/dbraw/zinc/28/13/84/372281384.db2.gz ARXZNLDXHZWMDA-LSDHHAIUSA-N 1 1 282.790 3.196 20 70 CGIDMO Fc1cc(Cl)cc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1 ZINC000160854724 372281386 /nfs/dbraw/zinc/28/13/86/372281386.db2.gz ARXZNLDXHZWMDA-LSDHHAIUSA-N 1 1 282.790 3.196 20 70 CGIDMO Cc1ccc([C@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C)cc1 ZINC000160870963 372283061 /nfs/dbraw/zinc/28/30/61/372283061.db2.gz BQIITGYLEMCLOJ-HNNXBMFYSA-N 1 1 297.464 3.201 20 70 CGIDMO Cc1ccc([C@H](C)[N@H+](C)CCCS(=O)(=O)C(C)C)cc1 ZINC000160870963 372283066 /nfs/dbraw/zinc/28/30/66/372283066.db2.gz BQIITGYLEMCLOJ-HNNXBMFYSA-N 1 1 297.464 3.201 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000161231185 372311088 /nfs/dbraw/zinc/31/10/88/372311088.db2.gz GTIANRRZVSXSDD-HNNXBMFYSA-N 1 1 278.444 3.255 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000161231185 372311090 /nfs/dbraw/zinc/31/10/90/372311090.db2.gz GTIANRRZVSXSDD-HNNXBMFYSA-N 1 1 278.444 3.255 20 70 CGIDMO CC(C)C[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000161348215 372318152 /nfs/dbraw/zinc/31/81/52/372318152.db2.gz NOGBAABWYMGNAD-MRXNPFEDSA-N 1 1 252.446 3.230 20 70 CGIDMO CC(C)C[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000161348215 372318163 /nfs/dbraw/zinc/31/81/63/372318163.db2.gz NOGBAABWYMGNAD-MRXNPFEDSA-N 1 1 252.446 3.230 20 70 CGIDMO C[NH+]1CCC(N[C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000161422990 372324141 /nfs/dbraw/zinc/32/41/41/372324141.db2.gz ZNBPCWHSTUKEQM-OAHLLOKOSA-N 1 1 294.826 3.238 20 70 CGIDMO CC[C@@H](C)[N@H+](C)CCNCc1cccc2cccnc21 ZINC000217395724 376172685 /nfs/dbraw/zinc/17/26/85/376172685.db2.gz XUYRRUXOEZLFJZ-CQSZACIVSA-N 1 1 271.408 3.055 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cccc2cccnc21 ZINC000217395724 376172693 /nfs/dbraw/zinc/17/26/93/376172693.db2.gz XUYRRUXOEZLFJZ-CQSZACIVSA-N 1 1 271.408 3.055 20 70 CGIDMO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217657995 376176894 /nfs/dbraw/zinc/17/68/94/376176894.db2.gz MGUYTXXAPVGMMA-WBAXXEDZSA-N 1 1 288.435 3.363 20 70 CGIDMO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217657995 376176904 /nfs/dbraw/zinc/17/69/04/376176904.db2.gz MGUYTXXAPVGMMA-WBAXXEDZSA-N 1 1 288.435 3.363 20 70 CGIDMO CCCn1nccc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000160015526 542152457 /nfs/dbraw/zinc/15/24/57/542152457.db2.gz HSTHQRFIXACOMH-LLVKDONJSA-N 1 1 279.334 3.422 20 70 CGIDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(C)s1 ZINC000160442553 542153722 /nfs/dbraw/zinc/15/37/22/542153722.db2.gz CQFKGCNVESBXDD-CQSZACIVSA-N 1 1 294.464 3.215 20 70 CGIDMO CSc1ccc(C[N@@H+](C)Cc2c[nH]nc2C)cc1 ZINC000160918220 542155694 /nfs/dbraw/zinc/15/56/94/542155694.db2.gz HDCCGIGPZSVHBB-UHFFFAOYSA-N 1 1 261.394 3.072 20 70 CGIDMO CSCCC[N@@H+](CCc1nccs1)C(C)C ZINC000159742988 533564972 /nfs/dbraw/zinc/56/49/72/533564972.db2.gz BQTVVWHHENVKFR-UHFFFAOYSA-N 1 1 258.456 3.149 20 70 CGIDMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000217224151 392994649 /nfs/dbraw/zinc/99/46/49/392994649.db2.gz IBQHFBGAJMTLGH-AWEZNQCLSA-N 1 1 268.445 3.001 20 70 CGIDMO O[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000218775070 270085531 /nfs/dbraw/zinc/08/55/31/270085531.db2.gz GJUHIQSCYZDPEW-UXHICEINSA-N 1 1 295.426 3.297 20 70 CGIDMO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cnccn2)c1 ZINC000159897326 321842786 /nfs/dbraw/zinc/84/27/86/321842786.db2.gz NDQIOTODHJQTMQ-CYBMUJFWSA-N 1 1 298.390 3.066 20 70 CGIDMO Cc1nc(C[N@@H+](CCc2nccs2)C(C)C)oc1C ZINC000159886355 534347191 /nfs/dbraw/zinc/34/71/91/534347191.db2.gz WBKMXNKKBPWSET-UHFFFAOYSA-N 1 1 279.409 3.201 20 70 CGIDMO Cc1nc(C[N@H+](CCc2nccs2)C(C)C)oc1C ZINC000159886355 534347196 /nfs/dbraw/zinc/34/71/96/534347196.db2.gz WBKMXNKKBPWSET-UHFFFAOYSA-N 1 1 279.409 3.201 20 70 CGIDMO COc1cc(C[NH2+]Cc2ccc(Cl)cc2F)ccn1 ZINC000160820132 522463490 /nfs/dbraw/zinc/46/34/90/522463490.db2.gz UOOBSZMVCNBNKG-UHFFFAOYSA-N 1 1 280.730 3.173 20 70 CGIDMO C[C@@H]1CCC[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000160634904 524266881 /nfs/dbraw/zinc/26/68/81/524266881.db2.gz JVNILEALBWWLID-IXDOHACOSA-N 1 1 294.483 3.441 20 70 CGIDMO CCSCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000160377831 529180102 /nfs/dbraw/zinc/18/01/02/529180102.db2.gz QZEKUSKSJRZKPB-ZFWWWQNUSA-N 1 1 265.422 3.202 20 70 CGIDMO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1cncc(F)c1 ZINC000160412715 188470977 /nfs/dbraw/zinc/47/09/77/188470977.db2.gz IHODBVOJARANFT-SUMWQHHRSA-N 1 1 293.430 3.382 20 70 CGIDMO Fc1cccc(C[N@@H+](CCOCC2CC2)C2CC2)c1 ZINC000159400397 372138814 /nfs/dbraw/zinc/13/88/14/372138814.db2.gz RMFLHMGNEMBJCM-UHFFFAOYSA-N 1 1 263.356 3.217 20 70 CGIDMO CC[N@@H+](CCOc1ccccc1)CCc1nccs1 ZINC000159431207 372142952 /nfs/dbraw/zinc/14/29/52/372142952.db2.gz PDCPWUDBPAKISL-UHFFFAOYSA-N 1 1 276.405 3.087 20 70 CGIDMO COc1cccc(CCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000159429304 372143003 /nfs/dbraw/zinc/14/30/03/372143003.db2.gz UEGOPLZXMGZRKD-INIZCTEOSA-N 1 1 299.418 3.231 20 70 CGIDMO COc1cccc(CCC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000159429304 372143008 /nfs/dbraw/zinc/14/30/08/372143008.db2.gz UEGOPLZXMGZRKD-INIZCTEOSA-N 1 1 299.418 3.231 20 70 CGIDMO COc1cccc(CCC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000159429304 372143016 /nfs/dbraw/zinc/14/30/16/372143016.db2.gz UEGOPLZXMGZRKD-INIZCTEOSA-N 1 1 299.418 3.231 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000159791587 372181288 /nfs/dbraw/zinc/18/12/88/372181288.db2.gz KCTAHZVAXFHAQA-MRXNPFEDSA-N 1 1 253.349 3.122 20 70 CGIDMO Cc1cccc(N(C)Cc2nccn2Cc2ccccc2)[nH+]1 ZINC000159708433 372172027 /nfs/dbraw/zinc/17/20/27/372172027.db2.gz SOCXRUZTKRJGEW-UHFFFAOYSA-N 1 1 292.386 3.271 20 70 CGIDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159748061 372176562 /nfs/dbraw/zinc/17/65/62/372176562.db2.gz PZOGHTHCRAQRED-LBPRGKRZSA-N 1 1 296.484 3.004 20 70 CGIDMO Clc1ccccc1C[C@@H]1CCC[N@H+]1CCn1ccnc1 ZINC000159774120 372177565 /nfs/dbraw/zinc/17/75/65/372177565.db2.gz YFVDANGYSNKYQN-HNNXBMFYSA-N 1 1 289.810 3.244 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)[nH]1 ZINC000160275617 372233413 /nfs/dbraw/zinc/23/34/13/372233413.db2.gz GLLVXLKFWBIASR-HNNXBMFYSA-N 1 1 290.798 3.261 20 70 CGIDMO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2CC(C)C)no1 ZINC000160331213 372239135 /nfs/dbraw/zinc/23/91/35/372239135.db2.gz GWNSUPBOMWGPGV-AWEZNQCLSA-N 1 1 293.411 3.212 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000159812829 372183381 /nfs/dbraw/zinc/18/33/81/372183381.db2.gz QDXNAGMVTXFLGW-MRXNPFEDSA-N 1 1 277.408 3.129 20 70 CGIDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCn2ccnc2)C1 ZINC000159838811 372184726 /nfs/dbraw/zinc/18/47/26/372184726.db2.gz HHKRLIPLENNQRG-HOTGVXAUSA-N 1 1 269.392 3.070 20 70 CGIDMO CCN1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000160968042 372291376 /nfs/dbraw/zinc/29/13/76/372291376.db2.gz PNQCOINVQSHCMY-HFTRVMKXSA-N 1 1 272.436 3.036 20 70 CGIDMO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161024881 372296937 /nfs/dbraw/zinc/29/69/37/372296937.db2.gz UKMFEVZJVVPEPG-HZMBPMFUSA-N 1 1 298.377 3.309 20 70 CGIDMO COc1ccccc1C[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000160417633 372245301 /nfs/dbraw/zinc/24/53/01/372245301.db2.gz DEXYIOSVVDWGNU-UHFFFAOYSA-N 1 1 281.359 3.204 20 70 CGIDMO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccco1 ZINC000160415905 372246337 /nfs/dbraw/zinc/24/63/37/372246337.db2.gz KDDYVOPJAXXMKB-UKRRQHHQSA-N 1 1 264.413 3.441 20 70 CGIDMO CCOC(=O)c1ccc(C[N@H+](C)Cc2cccc(F)c2)o1 ZINC000160471183 372250602 /nfs/dbraw/zinc/25/06/02/372250602.db2.gz MPVXCMKIFAXUPD-UHFFFAOYSA-N 1 1 291.322 3.227 20 70 CGIDMO CCOC(=O)c1ccc(C[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000160471183 372250607 /nfs/dbraw/zinc/25/06/07/372250607.db2.gz MPVXCMKIFAXUPD-UHFFFAOYSA-N 1 1 291.322 3.227 20 70 CGIDMO CCCCOc1cccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000160823687 372279227 /nfs/dbraw/zinc/27/92/27/372279227.db2.gz KJCHJVVSQNHVKW-MAUKXSAKSA-N 1 1 290.451 3.295 20 70 CGIDMO CC[C@](C)(O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000161304397 372316587 /nfs/dbraw/zinc/31/65/87/372316587.db2.gz GEDXKELJIXLUSN-HOCLYGCPSA-N 1 1 279.449 3.262 20 70 CGIDMO C/C(=C/c1ccccc1)CNCC[N@H+]1CCC[C@@H](C)C1 ZINC000216986772 376170211 /nfs/dbraw/zinc/17/02/11/376170211.db2.gz NQAXULMPMZHTCQ-UDLNKVAWSA-N 1 1 272.436 3.411 20 70 CGIDMO C/C(=C/c1ccccc1)CNCC[N@@H+]1CCC[C@@H](C)C1 ZINC000216986772 376170214 /nfs/dbraw/zinc/17/02/14/376170214.db2.gz NQAXULMPMZHTCQ-UDLNKVAWSA-N 1 1 272.436 3.411 20 70 CGIDMO c1c2ccccc2oc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217631556 376177371 /nfs/dbraw/zinc/17/73/71/376177371.db2.gz KLWNHHHVIAAOIX-CVEARBPZSA-N 1 1 270.376 3.149 20 70 CGIDMO c1c2ccccc2oc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217631556 376177380 /nfs/dbraw/zinc/17/73/80/376177380.db2.gz KLWNHHHVIAAOIX-CVEARBPZSA-N 1 1 270.376 3.149 20 70 CGIDMO COc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000217908729 376181128 /nfs/dbraw/zinc/18/11/28/376181128.db2.gz AGBJNBBLWXURNR-COPLHBTASA-N 1 1 282.815 3.489 20 70 CGIDMO CCCN1CCC([NH2+]CCCCc2nc(C)cs2)CC1 ZINC000160638719 542154851 /nfs/dbraw/zinc/15/48/51/542154851.db2.gz OMNJSEZALSDROX-UHFFFAOYSA-N 1 1 295.496 3.238 20 70 CGIDMO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000217727110 270085277 /nfs/dbraw/zinc/08/52/77/270085277.db2.gz FTISYVBWNJAWQR-DZGCQCFKSA-N 1 1 275.392 3.206 20 70 CGIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972390 524913250 /nfs/dbraw/zinc/91/32/50/524913250.db2.gz DGQHNIJNJANJDM-DEICHXMPSA-N 1 1 272.436 3.035 20 70 CGIDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000160982318 527388457 /nfs/dbraw/zinc/38/84/57/527388457.db2.gz FJYTXAINGKFMNF-JSGCOSHPSA-N 1 1 298.390 3.341 20 70 CGIDMO CCCCOCCCNc1[nH+]c2ccccc2n1C ZINC000161081892 528589037 /nfs/dbraw/zinc/58/90/37/528589037.db2.gz PVTKJKSAIHYURR-UHFFFAOYSA-N 1 1 261.369 3.192 20 70 CGIDMO CCSCC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000160502839 529178756 /nfs/dbraw/zinc/17/87/56/529178756.db2.gz QSFVNCMJMHPPLJ-UHFFFAOYSA-N 1 1 253.411 3.189 20 70 CGIDMO COc1ccc([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000161354037 232249126 /nfs/dbraw/zinc/24/91/26/232249126.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 1 276.424 3.172 20 70 CGIDMO COc1ccc([C@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000161354037 232249129 /nfs/dbraw/zinc/24/91/29/232249129.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 1 276.424 3.172 20 70 CGIDMO COc1ccc([C@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000161354037 232249131 /nfs/dbraw/zinc/24/91/31/232249131.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 1 276.424 3.172 20 70 CGIDMO COc1ccc([C@H](C)N(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000161354037 232249132 /nfs/dbraw/zinc/24/91/32/232249132.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 1 276.424 3.172 20 70 CGIDMO COc1ccc([C@H](C)N(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000161354037 232249136 /nfs/dbraw/zinc/24/91/36/232249136.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 1 276.424 3.172 20 70 CGIDMO CCN1CC[C@@H]([NH2+]CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000159466487 372145708 /nfs/dbraw/zinc/14/57/08/372145708.db2.gz RQPZYGVAYVMFEQ-SJLPKXTDSA-N 1 1 274.452 3.166 20 70 CGIDMO Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159527068 372152493 /nfs/dbraw/zinc/15/24/93/372152493.db2.gz NXCQMLNLKVSQCY-QWHCGFSZSA-N 1 1 294.826 3.043 20 70 CGIDMO CCCCOCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159735665 372174347 /nfs/dbraw/zinc/17/43/47/372174347.db2.gz LVDZIMGZUHMAIG-MRXNPFEDSA-N 1 1 262.397 3.344 20 70 CGIDMO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)cc1 ZINC000160138053 372216630 /nfs/dbraw/zinc/21/66/30/372216630.db2.gz RMWMWJKVBOCCGH-KGLIPLIRSA-N 1 1 264.413 3.076 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)cc1 ZINC000160138053 372216635 /nfs/dbraw/zinc/21/66/35/372216635.db2.gz RMWMWJKVBOCCGH-KGLIPLIRSA-N 1 1 264.413 3.076 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)[nH]1 ZINC000160317102 372238150 /nfs/dbraw/zinc/23/81/50/372238150.db2.gz MKRQRMNIMWCZSW-LBPRGKRZSA-N 1 1 288.395 3.005 20 70 CGIDMO CC(C)[N@@H+](CCc1nccs1)CCc1ccncc1 ZINC000159947393 372196874 /nfs/dbraw/zinc/19/68/74/372196874.db2.gz WWHIYRKLLLOECD-UHFFFAOYSA-N 1 1 275.421 3.034 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2ccc(-n3cncn3)cc2)cc1 ZINC000160639902 372264094 /nfs/dbraw/zinc/26/40/94/372264094.db2.gz JSIOTQXTAXISKZ-UHFFFAOYSA-N 1 1 292.386 3.208 20 70 CGIDMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160632648 372264440 /nfs/dbraw/zinc/26/44/40/372264440.db2.gz FDBNTSGIBGLKDD-UHFFFAOYSA-N 1 1 295.333 3.260 20 70 CGIDMO C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)C[NH+]1CCCCC1 ZINC000160768897 372273256 /nfs/dbraw/zinc/27/32/56/372273256.db2.gz KXRLQCSTGDAFCO-HOTGVXAUSA-N 1 1 250.430 3.127 20 70 CGIDMO C(CN1CCCCC1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160768897 372273262 /nfs/dbraw/zinc/27/32/62/372273262.db2.gz KXRLQCSTGDAFCO-HOTGVXAUSA-N 1 1 250.430 3.127 20 70 CGIDMO C(CN1CCCCC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160768897 372273270 /nfs/dbraw/zinc/27/32/70/372273270.db2.gz KXRLQCSTGDAFCO-HOTGVXAUSA-N 1 1 250.430 3.127 20 70 CGIDMO Cn1c(C[N@@H+](C)CC2CCCC2)nnc1-c1ccccc1 ZINC000160873594 372282865 /nfs/dbraw/zinc/28/28/65/372282865.db2.gz YBNREZYJIQSZTI-UHFFFAOYSA-N 1 1 284.407 3.104 20 70 CGIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000161112085 372302340 /nfs/dbraw/zinc/30/23/40/372302340.db2.gz QXLNAJPHKDMFMR-RCBQFDQVSA-N 1 1 264.388 3.349 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccccc1OC(C)C ZINC000217375027 376172539 /nfs/dbraw/zinc/17/25/39/376172539.db2.gz NQSZTNCDQADCMN-OAHLLOKOSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccccc1OC(C)C ZINC000217375027 376172545 /nfs/dbraw/zinc/17/25/45/376172545.db2.gz NQSZTNCDQADCMN-OAHLLOKOSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659692 376176217 /nfs/dbraw/zinc/17/62/17/376176217.db2.gz CULWOIYAUWPDEH-KSZLIROESA-N 1 1 288.435 3.363 20 70 CGIDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659692 376176221 /nfs/dbraw/zinc/17/62/21/376176221.db2.gz CULWOIYAUWPDEH-KSZLIROESA-N 1 1 288.435 3.363 20 70 CGIDMO COc1ccc([C@@H]([NH2+]C[C@H]2CCCN(C)C2)C2CC2)cc1 ZINC000217566941 376177671 /nfs/dbraw/zinc/17/76/71/376177671.db2.gz LGHUHRRNRCXRIY-KDOFPFPSSA-N 1 1 288.435 3.078 20 70 CGIDMO C[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160774449 542156145 /nfs/dbraw/zinc/15/61/45/542156145.db2.gz RJRIDLRRQPUELS-HZMBPMFUSA-N 1 1 298.224 3.213 20 70 CGIDMO CCC[N@H+](CCO)Cc1c(Cl)cccc1OC(F)F ZINC000161214656 542157925 /nfs/dbraw/zinc/15/79/25/542157925.db2.gz GCTDSUVKMTUBIW-UHFFFAOYSA-N 1 1 293.741 3.146 20 70 CGIDMO CCC[N@@H+](CCO)Cc1c(Cl)cccc1OC(F)F ZINC000161214656 542157930 /nfs/dbraw/zinc/15/79/30/542157930.db2.gz GCTDSUVKMTUBIW-UHFFFAOYSA-N 1 1 293.741 3.146 20 70 CGIDMO CCC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CC1 ZINC000217200418 270085170 /nfs/dbraw/zinc/08/51/70/270085170.db2.gz JEMCQWUWHDNCMA-HOCLYGCPSA-N 1 1 280.456 3.146 20 70 CGIDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000161208665 521596897 /nfs/dbraw/zinc/59/68/97/521596897.db2.gz QTNBVCQJUDQTBQ-UONOGXRCSA-N 1 1 250.386 3.113 20 70 CGIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000161208665 521596901 /nfs/dbraw/zinc/59/69/01/521596901.db2.gz QTNBVCQJUDQTBQ-UONOGXRCSA-N 1 1 250.386 3.113 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160497997 523914853 /nfs/dbraw/zinc/91/48/53/523914853.db2.gz NGXFMCXJSYTORX-ZDUSSCGKSA-N 1 1 268.445 3.001 20 70 CGIDMO C[C@H](c1ccccc1F)[N@@H+](C)CCOCC1CC1 ZINC000159361538 372135225 /nfs/dbraw/zinc/13/52/25/372135225.db2.gz NXAAXGNGMDEFIU-GFCCVEGCSA-N 1 1 251.345 3.245 20 70 CGIDMO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159463783 372146066 /nfs/dbraw/zinc/14/60/66/372146066.db2.gz QRRIQLAPEQGMII-YGRLFVJLSA-N 1 1 271.763 3.072 20 70 CGIDMO C[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159463783 372146068 /nfs/dbraw/zinc/14/60/68/372146068.db2.gz QRRIQLAPEQGMII-YGRLFVJLSA-N 1 1 271.763 3.072 20 70 CGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000159457130 372146160 /nfs/dbraw/zinc/14/61/60/372146160.db2.gz HBUNTEIHOBBZTD-BDAKNGLRSA-N 1 1 262.180 3.367 20 70 CGIDMO Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000159475455 372147360 /nfs/dbraw/zinc/14/73/60/372147360.db2.gz LJZGFVNQYYRWDB-LZLYRXPVSA-N 1 1 274.452 3.164 20 70 CGIDMO C[C@@H](CCNC(=O)[C@@H]1CC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000159819231 372182739 /nfs/dbraw/zinc/18/27/39/372182739.db2.gz LNZGKCHOVYFSOJ-HOCLYGCPSA-N 1 1 288.435 3.059 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCCC(C)(C)CC1 ZINC000159583187 372157887 /nfs/dbraw/zinc/15/78/87/372157887.db2.gz GSBRJTZYKKDZPT-UHFFFAOYSA-N 1 1 264.417 3.009 20 70 CGIDMO CCCCc1noc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159698069 372169970 /nfs/dbraw/zinc/16/99/70/372169970.db2.gz DNEHHRVMKPCDCE-STQMWFEESA-N 1 1 263.385 3.177 20 70 CGIDMO c1nc2ccccn2c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000159698130 372170149 /nfs/dbraw/zinc/17/01/49/372170149.db2.gz JTYAXRSUIJBGQD-OAHLLOKOSA-N 1 1 255.365 3.099 20 70 CGIDMO COc1cccc([C@H](C)[N@@H+](C)CCOCC2CC2)c1 ZINC000159762991 372177692 /nfs/dbraw/zinc/17/76/92/372177692.db2.gz BXINYBGHCJWFLO-ZDUSSCGKSA-N 1 1 263.381 3.115 20 70 CGIDMO c1cn(CC[N@H+]2CCC[C@H]2CC2CCCCC2)cn1 ZINC000159784693 372179634 /nfs/dbraw/zinc/17/96/34/372179634.db2.gz WJLZRXSJMPTMGB-INIZCTEOSA-N 1 1 261.413 3.318 20 70 CGIDMO CC[N@@H+](CCNC(=O)CC/C=C/c1ccccc1)C(C)C ZINC000160174302 372220755 /nfs/dbraw/zinc/22/07/55/372220755.db2.gz BQWZGGIQLITHRJ-XYOKQWHBSA-N 1 1 288.435 3.327 20 70 CGIDMO CCOCCC[N@H+](CC)Cc1c(F)cccc1F ZINC000160181317 372222436 /nfs/dbraw/zinc/22/24/36/372222436.db2.gz WBEXFSLFQOVQAM-UHFFFAOYSA-N 1 1 257.324 3.213 20 70 CGIDMO CCOCCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000160181317 372222443 /nfs/dbraw/zinc/22/24/43/372222443.db2.gz WBEXFSLFQOVQAM-UHFFFAOYSA-N 1 1 257.324 3.213 20 70 CGIDMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC=CCC1 ZINC000159881938 372191220 /nfs/dbraw/zinc/19/12/20/372191220.db2.gz OTRXPVZYJFESFD-AWEZNQCLSA-N 1 1 297.402 3.101 20 70 CGIDMO C[C@H](CCc1ccccc1)SCC[NH+]1CCOCC1 ZINC000159996044 372201293 /nfs/dbraw/zinc/20/12/93/372201293.db2.gz JQDMDYGHAXMYAI-OAHLLOKOSA-N 1 1 279.449 3.073 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)Cc1nc(N)c2ccccc2n1 ZINC000160567699 372257465 /nfs/dbraw/zinc/25/74/65/372257465.db2.gz TXPSMUYHGOWCHJ-GFCCVEGCSA-N 1 1 272.396 3.080 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2nc(C)ccc2O)cc1 ZINC000160635537 372264891 /nfs/dbraw/zinc/26/48/91/372264891.db2.gz OVECEHJYGQHVIS-UHFFFAOYSA-N 1 1 256.349 3.036 20 70 CGIDMO Cc1csc(CCCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000160667886 372265983 /nfs/dbraw/zinc/26/59/83/372265983.db2.gz TWJWHUUWELFZTQ-AEGPPILISA-N 1 1 295.496 3.093 20 70 CGIDMO Cc1ccc(SCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160793965 372275274 /nfs/dbraw/zinc/27/52/74/372275274.db2.gz LOBPMGLTZJHDQF-HOCLYGCPSA-N 1 1 278.465 3.017 20 70 CGIDMO Cc1ccc(SCC[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000160793965 372275281 /nfs/dbraw/zinc/27/52/81/372275281.db2.gz LOBPMGLTZJHDQF-HOCLYGCPSA-N 1 1 278.465 3.017 20 70 CGIDMO Cn1ccnc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000160835104 372279200 /nfs/dbraw/zinc/27/92/00/372279200.db2.gz BKZYLNRLKGGZMY-MRXNPFEDSA-N 1 1 267.376 3.072 20 70 CGIDMO Cn1ccnc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000160835104 372279207 /nfs/dbraw/zinc/27/92/07/372279207.db2.gz BKZYLNRLKGGZMY-MRXNPFEDSA-N 1 1 267.376 3.072 20 70 CGIDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160829104 372279703 /nfs/dbraw/zinc/27/97/03/372279703.db2.gz REPUKGUPHWKNPY-AWEZNQCLSA-N 1 1 280.456 3.003 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000160911759 372287805 /nfs/dbraw/zinc/28/78/05/372287805.db2.gz MBXCMGGBINHDMM-YOEHRIQHSA-N 1 1 298.434 3.375 20 70 CGIDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000161171637 372307525 /nfs/dbraw/zinc/30/75/25/372307525.db2.gz LVGRUUAEIDEPQF-ZFWWWQNUSA-N 1 1 294.414 3.359 20 70 CGIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000161171637 372307528 /nfs/dbraw/zinc/30/75/28/372307528.db2.gz LVGRUUAEIDEPQF-ZFWWWQNUSA-N 1 1 294.414 3.359 20 70 CGIDMO CN1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000217564241 376177019 /nfs/dbraw/zinc/17/70/19/376177019.db2.gz LCVZKWSLHUBYLA-WMLDXEAASA-N 1 1 258.409 3.069 20 70 CGIDMO FC(F)(F)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654492 376177039 /nfs/dbraw/zinc/17/70/39/376177039.db2.gz VJSSOMRHRWVQMD-CABCVRRESA-N 1 1 298.352 3.422 20 70 CGIDMO FC(F)(F)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217654492 376177047 /nfs/dbraw/zinc/17/70/47/376177047.db2.gz VJSSOMRHRWVQMD-CABCVRRESA-N 1 1 298.352 3.422 20 70 CGIDMO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000217770320 376178773 /nfs/dbraw/zinc/17/87/73/376178773.db2.gz ZXAAYTKMHIYGBC-YNEHKIRRSA-N 1 1 255.402 3.133 20 70 CGIDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(C)[nH]1 ZINC000217811165 376179624 /nfs/dbraw/zinc/17/96/24/376179624.db2.gz YTHAMVGEDWGTAY-GOEBONIOSA-N 1 1 274.408 3.469 20 70 CGIDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(C)[nH]1 ZINC000217811165 376179628 /nfs/dbraw/zinc/17/96/28/376179628.db2.gz YTHAMVGEDWGTAY-GOEBONIOSA-N 1 1 274.408 3.469 20 70 CGIDMO CCSCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160032802 392581212 /nfs/dbraw/zinc/58/12/12/392581212.db2.gz DWRWYECFWMZJMU-AWEZNQCLSA-N 1 1 265.422 3.238 20 70 CGIDMO Fc1cc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000218314954 392996177 /nfs/dbraw/zinc/99/61/77/392996177.db2.gz VJFGESGPVSAVPE-GJZGRUSLSA-N 1 1 282.790 3.196 20 70 CGIDMO Fc1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)ccc1Cl ZINC000218314954 392996187 /nfs/dbraw/zinc/99/61/87/392996187.db2.gz VJFGESGPVSAVPE-GJZGRUSLSA-N 1 1 282.790 3.196 20 70 CGIDMO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159425011 321834607 /nfs/dbraw/zinc/83/46/07/321834607.db2.gz SRMHIJJZWCQBOE-MNOVXSKESA-N 1 1 298.377 3.309 20 70 CGIDMO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159509399 321836206 /nfs/dbraw/zinc/83/62/06/321836206.db2.gz MPRBZGALQJZQAV-NEPJUHHUSA-N 1 1 298.377 3.166 20 70 CGIDMO C[C@@H](CCc1ccccc1)SCC[NH+]1CCOCC1 ZINC000159995916 321844449 /nfs/dbraw/zinc/84/44/49/321844449.db2.gz JQDMDYGHAXMYAI-HNNXBMFYSA-N 1 1 279.449 3.073 20 70 CGIDMO CCS[C@H]1CCCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160363981 521730589 /nfs/dbraw/zinc/73/05/89/521730589.db2.gz LRKBWBRAFWGWAK-HNNXBMFYSA-N 1 1 289.448 3.442 20 70 CGIDMO CS[C@H]1CCCC[N@H+](CCCN2CCCCC2)C1 ZINC000161445378 525902465 /nfs/dbraw/zinc/90/24/65/525902465.db2.gz LVHDGAZKXHHZLL-HNNXBMFYSA-N 1 1 270.486 3.080 20 70 CGIDMO CS[C@H]1CCCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161445378 525902470 /nfs/dbraw/zinc/90/24/70/525902470.db2.gz LVHDGAZKXHHZLL-HNNXBMFYSA-N 1 1 270.486 3.080 20 70 CGIDMO Cc1ncc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000160865967 527306675 /nfs/dbraw/zinc/30/66/75/527306675.db2.gz JBZUFTRZJNZQNS-CYBMUJFWSA-N 1 1 298.434 3.006 20 70 CGIDMO CC(C)C[C@@H](CNCc1cc(F)cc(F)c1)[NH+](C)C ZINC000159890061 528329242 /nfs/dbraw/zinc/32/92/42/528329242.db2.gz MMCKEAOYPKBMMH-HNNXBMFYSA-N 1 1 270.367 3.031 20 70 CGIDMO CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159779755 372179932 /nfs/dbraw/zinc/17/99/32/372179932.db2.gz IXFWBZKLZUWEGR-AWEZNQCLSA-N 1 1 280.799 3.177 20 70 CGIDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159463936 372145579 /nfs/dbraw/zinc/14/55/79/372145579.db2.gz CVEXZZWDKFXRHD-FZMZJTMJSA-N 1 1 271.763 3.072 20 70 CGIDMO C[N@H+](Cc1cccc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159499579 372151190 /nfs/dbraw/zinc/15/11/90/372151190.db2.gz IFQNXTVKQWBXQT-AEFFLSMTSA-N 1 1 269.388 3.433 20 70 CGIDMO CCc1ccc(C[N@@H+](CCn2ccnc2)C2CC2)cc1 ZINC000159742366 372176400 /nfs/dbraw/zinc/17/64/00/372176400.db2.gz SBOPEGTXMGARGE-UHFFFAOYSA-N 1 1 269.392 3.110 20 70 CGIDMO Cc1nccn1CCCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783326 372179665 /nfs/dbraw/zinc/17/96/65/372179665.db2.gz IXOPFFQXFLJLRZ-SFHVURJKSA-N 1 1 283.419 3.461 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cccnc1Cl ZINC000160084398 372211163 /nfs/dbraw/zinc/21/11/63/372211163.db2.gz OOJJWFFSVGMKGE-NEPJUHHUSA-N 1 1 269.820 3.116 20 70 CGIDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)CC(C)(C)C ZINC000160254397 372229366 /nfs/dbraw/zinc/22/93/66/372229366.db2.gz YMWDXNJOROZIII-UHFFFAOYSA-N 1 1 284.350 3.271 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)[nH]1 ZINC000160277969 372234108 /nfs/dbraw/zinc/23/41/08/372234108.db2.gz MEBYJQGIZDOFMC-GFCCVEGCSA-N 1 1 284.407 3.097 20 70 CGIDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159925066 372195214 /nfs/dbraw/zinc/19/52/14/372195214.db2.gz ZQGRWDCQBJRXKG-HUUCEWRRSA-N 1 1 294.483 3.392 20 70 CGIDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccccc32)C1 ZINC000161034777 372296909 /nfs/dbraw/zinc/29/69/09/372296909.db2.gz BOXOVJHDLKZTBA-BFYDXBDKSA-N 1 1 258.409 3.136 20 70 CGIDMO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccco1 ZINC000160415798 372246583 /nfs/dbraw/zinc/24/65/83/372246583.db2.gz KDDYVOPJAXXMKB-DZGCQCFKSA-N 1 1 264.413 3.441 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC(C)(C)CC ZINC000160587660 372260681 /nfs/dbraw/zinc/26/06/81/372260681.db2.gz JIYAGYNTDVSSEU-STQMWFEESA-N 1 1 256.434 3.048 20 70 CGIDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000160669024 372266246 /nfs/dbraw/zinc/26/62/46/372266246.db2.gz HHEINHMWTAXGRW-UHFFFAOYSA-N 1 1 257.381 3.474 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@@H+](CC)Cc2ccccc2C)n1 ZINC000160810326 372277306 /nfs/dbraw/zinc/27/73/06/372277306.db2.gz DWBBUNSZZPDPHG-UHFFFAOYSA-N 1 1 285.391 3.075 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@H+](CC)Cc2ccccc2C)n1 ZINC000160810326 372277310 /nfs/dbraw/zinc/27/73/10/372277310.db2.gz DWBBUNSZZPDPHG-UHFFFAOYSA-N 1 1 285.391 3.075 20 70 CGIDMO CC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1C ZINC000160810194 372277932 /nfs/dbraw/zinc/27/79/32/372277932.db2.gz ZOFXQEDRJFIRPT-UHFFFAOYSA-N 1 1 297.464 3.030 20 70 CGIDMO CCCCOc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000160815484 372277966 /nfs/dbraw/zinc/27/79/66/372277966.db2.gz WAXIVDROTWTWQK-WBVHZDCISA-N 1 1 290.451 3.438 20 70 CGIDMO CCCCOc1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160815484 372277970 /nfs/dbraw/zinc/27/79/70/372277970.db2.gz WAXIVDROTWTWQK-WBVHZDCISA-N 1 1 290.451 3.438 20 70 CGIDMO CCCCOc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000160815484 372277974 /nfs/dbraw/zinc/27/79/74/372277974.db2.gz WAXIVDROTWTWQK-WBVHZDCISA-N 1 1 290.451 3.438 20 70 CGIDMO CCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2OC)o1 ZINC000160833714 372279640 /nfs/dbraw/zinc/27/96/40/372279640.db2.gz VPAIQNYJZUTLEH-UHFFFAOYSA-N 1 1 289.375 3.491 20 70 CGIDMO CCc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2OC)o1 ZINC000160833714 372279646 /nfs/dbraw/zinc/27/96/46/372279646.db2.gz VPAIQNYJZUTLEH-UHFFFAOYSA-N 1 1 289.375 3.491 20 70 CGIDMO CN1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565680 376176682 /nfs/dbraw/zinc/17/66/82/376176682.db2.gz UXNPEZOWRDWFKQ-GUYCJALGSA-N 1 1 276.399 3.208 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCCc2ccc(O)cc21 ZINC000217768629 376179985 /nfs/dbraw/zinc/17/99/85/376179985.db2.gz SZMICHLXOWWWPG-CXAGYDPISA-N 1 1 276.424 3.090 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000217768629 376179991 /nfs/dbraw/zinc/17/99/91/376179991.db2.gz SZMICHLXOWWWPG-CXAGYDPISA-N 1 1 276.424 3.090 20 70 CGIDMO CC(C)Oc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000218117034 376185161 /nfs/dbraw/zinc/18/51/61/376185161.db2.gz QVMRBZNTWHHGBZ-MSOLQXFVSA-N 1 1 288.435 3.190 20 70 CGIDMO CC(C)Oc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000218117034 376185165 /nfs/dbraw/zinc/18/51/65/376185165.db2.gz QVMRBZNTWHHGBZ-MSOLQXFVSA-N 1 1 288.435 3.190 20 70 CGIDMO C[C@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160871380 542156563 /nfs/dbraw/zinc/15/65/63/542156563.db2.gz ULNLTVWUOWWRDO-YGRLFVJLSA-N 1 1 298.224 3.213 20 70 CGIDMO C[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H](c2ccccc2)O1 ZINC000217241310 392994665 /nfs/dbraw/zinc/99/46/65/392994665.db2.gz DREKYWANUSTUDN-PBHICJAKSA-N 1 1 268.360 3.044 20 70 CGIDMO C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@H](c2ccccc2)O1 ZINC000217241310 392994668 /nfs/dbraw/zinc/99/46/68/392994668.db2.gz DREKYWANUSTUDN-PBHICJAKSA-N 1 1 268.360 3.044 20 70 CGIDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000218730850 392999309 /nfs/dbraw/zinc/99/93/09/392999309.db2.gz MLBGQFXLJJAMIE-OWCLPIDISA-N 1 1 281.346 3.090 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(OC(C)C)cc1 ZINC000217389395 270085203 /nfs/dbraw/zinc/08/52/03/270085203.db2.gz WMDUZPNULQCJFZ-OAHLLOKOSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000217389395 270085204 /nfs/dbraw/zinc/08/52/04/270085204.db2.gz WMDUZPNULQCJFZ-OAHLLOKOSA-N 1 1 278.440 3.294 20 70 CGIDMO CCCc1ccc([C@@H]([NH2+]Cc2nncn2C)C(C)C)cc1 ZINC000160714522 321855996 /nfs/dbraw/zinc/85/59/96/321855996.db2.gz ZITXLDLVBFFSQI-KRWDZBQOSA-N 1 1 286.423 3.255 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCOCC(F)(F)F)n1 ZINC000160420513 524896195 /nfs/dbraw/zinc/89/61/95/524896195.db2.gz CDONEUNQUWDHOB-CYBMUJFWSA-N 1 1 288.313 3.106 20 70 CGIDMO COc1ncccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000160766441 525060190 /nfs/dbraw/zinc/06/01/90/525060190.db2.gz QOKNNQMNFBGILY-UHFFFAOYSA-N 1 1 280.730 3.173 20 70 CGIDMO CCOCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000160399695 528658967 /nfs/dbraw/zinc/65/89/67/528658967.db2.gz IPEGTLYPABJPBT-OAHLLOKOSA-N 1 1 291.391 3.021 20 70 CGIDMO CC(C)[N@@H+](CCOC(C)(C)C)CCc1nccs1 ZINC000159808868 528910381 /nfs/dbraw/zinc/91/03/81/528910381.db2.gz MJPILNVTBWBHDY-UHFFFAOYSA-N 1 1 270.442 3.211 20 70 CGIDMO CCCN1CCC([NH2+]CC2(c3ccc(F)cc3)CC2)CC1 ZINC000161347241 572884348 /nfs/dbraw/zinc/88/43/48/572884348.db2.gz YOKVLCFWCISLRT-UHFFFAOYSA-N 1 1 290.426 3.321 20 70 CGIDMO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159739799 282383664 /nfs/dbraw/zinc/38/36/64/282383664.db2.gz BUBWQWNYFRXBEA-INIZCTEOSA-N 1 1 271.364 3.332 20 70 CGIDMO Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000160131684 232243876 /nfs/dbraw/zinc/24/38/76/232243876.db2.gz TVXZAXGVTCQAOF-HZTRTUMWSA-N 1 1 258.409 3.271 20 70 CGIDMO Cc1cccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000160131684 232243878 /nfs/dbraw/zinc/24/38/78/232243878.db2.gz TVXZAXGVTCQAOF-HZTRTUMWSA-N 1 1 258.409 3.271 20 70 CGIDMO Cc1cccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000160131684 232243880 /nfs/dbraw/zinc/24/38/80/232243880.db2.gz TVXZAXGVTCQAOF-HZTRTUMWSA-N 1 1 258.409 3.271 20 70 CGIDMO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159459667 372145824 /nfs/dbraw/zinc/14/58/24/372145824.db2.gz QSDHZXYZVBZHGI-SDDRHHMPSA-N 1 1 298.377 3.309 20 70 CGIDMO CCOC(C)(C)CNc1cc[nH+]cc1Br ZINC000159534934 372152015 /nfs/dbraw/zinc/15/20/15/372152015.db2.gz GJTBFKRFTBZCFS-UHFFFAOYSA-N 1 1 273.174 3.071 20 70 CGIDMO NC(=O)[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000159547066 372153470 /nfs/dbraw/zinc/15/34/70/372153470.db2.gz ZIQLTHIQGKSDSV-DLBZAZTESA-N 1 1 298.361 3.019 20 70 CGIDMO CSCCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159712639 372171469 /nfs/dbraw/zinc/17/14/69/372171469.db2.gz FMQQSWGUVUWLRX-CQSZACIVSA-N 1 1 250.411 3.280 20 70 CGIDMO C[N@@H+](CCn1ccnc1)Cc1ccccc1C(F)(F)F ZINC000159711254 372172554 /nfs/dbraw/zinc/17/25/54/372172554.db2.gz IPTCAYYNDOQBIY-UHFFFAOYSA-N 1 1 283.297 3.034 20 70 CGIDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)c1cccs1 ZINC000160247708 372229904 /nfs/dbraw/zinc/22/99/04/372229904.db2.gz COHLDJHDYPBXJG-KBPBESRZSA-N 1 1 294.464 3.232 20 70 CGIDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000160325452 372237187 /nfs/dbraw/zinc/23/71/87/372237187.db2.gz JXQUQPAQSMXVFB-CVEARBPZSA-N 1 1 295.423 3.058 20 70 CGIDMO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000160341141 372238920 /nfs/dbraw/zinc/23/89/20/372238920.db2.gz IMMZDYXMSYKPQD-SFHVURJKSA-N 1 1 294.398 3.112 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)cc1 ZINC000159855031 372186224 /nfs/dbraw/zinc/18/62/24/372186224.db2.gz FBIBECOKPVDGHM-UHFFFAOYSA-N 1 1 285.343 3.056 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCOC(C)(C)C)n1 ZINC000159842079 372187199 /nfs/dbraw/zinc/18/71/99/372187199.db2.gz IZPDSJBKULLAGD-HNNXBMFYSA-N 1 1 262.397 3.342 20 70 CGIDMO Cc1cccc([C@@H](C)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000159897549 372192949 /nfs/dbraw/zinc/19/29/49/372192949.db2.gz VZYBKLUUKLDWSF-JKSUJKDBSA-N 1 1 288.435 3.089 20 70 CGIDMO CCc1oc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1C ZINC000160458562 372248607 /nfs/dbraw/zinc/24/86/07/372248607.db2.gz BDPGZUYQDDTFOG-CQSZACIVSA-N 1 1 292.423 3.001 20 70 CGIDMO COc1ccc(C[N@H+](C)Cc2ccsc2)c(OC)c1 ZINC000160839575 372281329 /nfs/dbraw/zinc/28/13/29/372281329.db2.gz BBVQWSGCHFQTEC-UHFFFAOYSA-N 1 1 277.389 3.397 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccsc2)c(OC)c1 ZINC000160839575 372281333 /nfs/dbraw/zinc/28/13/33/372281333.db2.gz BBVQWSGCHFQTEC-UHFFFAOYSA-N 1 1 277.389 3.397 20 70 CGIDMO Cc1ccc([C@@H](C)[N@@H+](C)CCCS(=O)(=O)C(C)C)cc1 ZINC000160870825 372283304 /nfs/dbraw/zinc/28/33/04/372283304.db2.gz BQIITGYLEMCLOJ-OAHLLOKOSA-N 1 1 297.464 3.201 20 70 CGIDMO Cc1ccc([C@@H](C)[N@H+](C)CCCS(=O)(=O)C(C)C)cc1 ZINC000160870825 372283310 /nfs/dbraw/zinc/28/33/10/372283310.db2.gz BQIITGYLEMCLOJ-OAHLLOKOSA-N 1 1 297.464 3.201 20 70 CGIDMO CC[N@@H+](CCc1nccs1)Cc1ccc(F)cc1F ZINC000159373790 542148751 /nfs/dbraw/zinc/14/87/51/542148751.db2.gz VOZYOQMZATZRHV-UHFFFAOYSA-N 1 1 282.359 3.486 20 70 CGIDMO Cc1ccc2cc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)ccc2n1 ZINC000218365418 392995756 /nfs/dbraw/zinc/99/57/56/392995756.db2.gz YRMMAWVBIRMILQ-WMLDXEAASA-N 1 1 283.419 3.116 20 70 CGIDMO COC(C[N@H+]1CCCC[C@H]1c1ccc(C)cc1)OC ZINC000161234498 292079061 /nfs/dbraw/zinc/07/90/61/292079061.db2.gz YGPWPIVKVVBLCB-HNNXBMFYSA-N 1 1 263.381 3.141 20 70 CGIDMO Cc1nc2c(s1)[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161103126 282046410 /nfs/dbraw/zinc/04/64/10/282046410.db2.gz JFIRFARKVNFTQW-KCQAQPDRSA-N 1 1 293.480 3.291 20 70 CGIDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879684 521726980 /nfs/dbraw/zinc/72/69/80/521726980.db2.gz WHRSHVDZHDFYOC-UKRRQHHQSA-N 1 1 289.448 3.440 20 70 CGIDMO CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(F)cc1F ZINC000160835351 522566965 /nfs/dbraw/zinc/56/69/65/522566965.db2.gz KLTRCAUOJJVLSL-HNNXBMFYSA-N 1 1 296.361 3.064 20 70 CGIDMO C[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1F ZINC000160730687 523159166 /nfs/dbraw/zinc/15/91/66/523159166.db2.gz ODLBIVZABMMRPC-UHFFFAOYSA-N 1 1 296.349 3.243 20 70 CGIDMO C[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1F ZINC000160730687 523159176 /nfs/dbraw/zinc/15/91/76/523159176.db2.gz ODLBIVZABMMRPC-UHFFFAOYSA-N 1 1 296.349 3.243 20 70 CGIDMO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000160738731 523532441 /nfs/dbraw/zinc/53/24/41/523532441.db2.gz UCKAFTHIAVNGRF-OAHLLOKOSA-N 1 1 255.365 3.240 20 70 CGIDMO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000160738731 523532448 /nfs/dbraw/zinc/53/24/48/523532448.db2.gz UCKAFTHIAVNGRF-OAHLLOKOSA-N 1 1 255.365 3.240 20 70 CGIDMO c1nc2ccccn2c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160789764 526609489 /nfs/dbraw/zinc/60/94/89/526609489.db2.gz DNNSBZOSINGDGH-HIFRSBDPSA-N 1 1 255.365 3.099 20 70 CGIDMO CC(C)[C@@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000161151716 528649773 /nfs/dbraw/zinc/64/97/73/528649773.db2.gz NGDHCWVXGLAFLH-INIZCTEOSA-N 1 1 252.446 3.373 20 70 CGIDMO CC(C)[C@@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000161151716 528649777 /nfs/dbraw/zinc/64/97/77/528649777.db2.gz NGDHCWVXGLAFLH-INIZCTEOSA-N 1 1 252.446 3.373 20 70 CGIDMO CCCC[C@@H](CCC)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159947637 528791029 /nfs/dbraw/zinc/79/10/29/528791029.db2.gz FIIUCRQFLVGGAG-OAHLLOKOSA-N 1 1 283.460 3.083 20 70 CGIDMO CN(CCC[NH+]1CCCCC1)CCc1cccs1 ZINC000161305375 529887021 /nfs/dbraw/zinc/88/70/21/529887021.db2.gz LOAPZTUZFLJADP-UHFFFAOYSA-N 1 1 266.454 3.098 20 70 CGIDMO CCCCCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C(C)C ZINC000160691355 346172318 /nfs/dbraw/zinc/17/23/18/346172318.db2.gz ZLPQAVOCBUTGQN-INIZCTEOSA-N 1 1 295.471 3.081 20 70 CGIDMO CCCCCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(C)C ZINC000160691204 346172501 /nfs/dbraw/zinc/17/25/01/346172501.db2.gz ZLPQAVOCBUTGQN-MRXNPFEDSA-N 1 1 295.471 3.081 20 70 CGIDMO CCC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C(C)C ZINC000161053413 283785465 /nfs/dbraw/zinc/78/54/65/283785465.db2.gz SSPNIMNGDIQESP-KBPBESRZSA-N 1 1 280.412 3.071 20 70 CGIDMO C[N@H+](Cc1ncc(-c2ccccc2F)o1)CC1CC1 ZINC000159387274 372138122 /nfs/dbraw/zinc/13/81/22/372138122.db2.gz ZCQPFONYNYYAFA-UHFFFAOYSA-N 1 1 260.312 3.323 20 70 CGIDMO COc1cc(C[N@@H+](C)CCc2ccccc2F)ccc1O ZINC000159548783 372154152 /nfs/dbraw/zinc/15/41/52/372154152.db2.gz WGTUAILSXLHKLR-UHFFFAOYSA-N 1 1 289.350 3.214 20 70 CGIDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cn1 ZINC000159711125 372172678 /nfs/dbraw/zinc/17/26/78/372172678.db2.gz PIIHAGSTGKNVLV-INIZCTEOSA-N 1 1 283.375 3.131 20 70 CGIDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cn1 ZINC000159711125 372172684 /nfs/dbraw/zinc/17/26/84/372172684.db2.gz PIIHAGSTGKNVLV-INIZCTEOSA-N 1 1 283.375 3.131 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@](C)(CCC)C1 ZINC000160105337 372214980 /nfs/dbraw/zinc/21/49/80/372214980.db2.gz DIHZPBAWKKFLEX-INIZCTEOSA-N 1 1 278.444 3.399 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@](C)(CCC)C1 ZINC000160105337 372214986 /nfs/dbraw/zinc/21/49/86/372214986.db2.gz DIHZPBAWKKFLEX-INIZCTEOSA-N 1 1 278.444 3.399 20 70 CGIDMO CC[N@H+]1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC000160128597 372216724 /nfs/dbraw/zinc/21/67/24/372216724.db2.gz NMWMMGNZFATYSM-HNNXBMFYSA-N 1 1 280.456 3.051 20 70 CGIDMO CC(C)n1cc([C@H](C)NCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000160280116 372233975 /nfs/dbraw/zinc/23/39/75/372233975.db2.gz SBUXWDPIUFTGNO-CVEARBPZSA-N 1 1 292.471 3.379 20 70 CGIDMO CC(C)[N@H+](CCc1nccs1)Cc1nccs1 ZINC000159958186 372197855 /nfs/dbraw/zinc/19/78/55/372197855.db2.gz HLHUMLITKLSVFP-UHFFFAOYSA-N 1 1 267.423 3.053 20 70 CGIDMO CC(C)[N@@H+](CCc1nccs1)Cc1nccs1 ZINC000159958186 372197863 /nfs/dbraw/zinc/19/78/63/372197863.db2.gz HLHUMLITKLSVFP-UHFFFAOYSA-N 1 1 267.423 3.053 20 70 CGIDMO Cc1ccn2c(C[N@@H+](C)Cc3cccc(F)c3)cnc2c1 ZINC000160462527 372250273 /nfs/dbraw/zinc/25/02/73/372250273.db2.gz OQKLEFSGKBNAFS-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO Cc1ccn2c(C[N@H+](C)Cc3cccc(F)c3)cnc2c1 ZINC000160462527 372250279 /nfs/dbraw/zinc/25/02/79/372250279.db2.gz OQKLEFSGKBNAFS-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NCCc1cccs1 ZINC000160585987 372261249 /nfs/dbraw/zinc/26/12/49/372261249.db2.gz DSSMAPSGNWQYAM-KGLIPLIRSA-N 1 1 296.480 3.163 20 70 CGIDMO C[N@H+](Cc1cccs1)Cc1ccc([S@@](C)=O)cc1 ZINC000160613078 372262881 /nfs/dbraw/zinc/26/28/81/372262881.db2.gz COTGCAWSMLVMFA-SFHVURJKSA-N 1 1 279.430 3.118 20 70 CGIDMO C[N@@H+](Cc1cccs1)Cc1ccc([S@@](C)=O)cc1 ZINC000160613078 372262889 /nfs/dbraw/zinc/26/28/89/372262889.db2.gz COTGCAWSMLVMFA-SFHVURJKSA-N 1 1 279.430 3.118 20 70 CGIDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000160804527 372276893 /nfs/dbraw/zinc/27/68/93/372276893.db2.gz PLISPTSPGAJVCS-UHFFFAOYSA-N 1 1 294.196 3.113 20 70 CGIDMO C[N@H+](Cc1ccc(CO)o1)Cc1cccc(Cl)c1 ZINC000161131485 372304520 /nfs/dbraw/zinc/30/45/20/372304520.db2.gz WSMRABCYZOMBBX-UHFFFAOYSA-N 1 1 265.740 3.057 20 70 CGIDMO C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(Cl)c1 ZINC000161131485 372304526 /nfs/dbraw/zinc/30/45/26/372304526.db2.gz WSMRABCYZOMBBX-UHFFFAOYSA-N 1 1 265.740 3.057 20 70 CGIDMO CCOc1ccc(C[N@@H+](CC)CCCn2ccnc2)cc1 ZINC000161246811 372312844 /nfs/dbraw/zinc/31/28/44/372312844.db2.gz YNYUGGSRWSJQHT-UHFFFAOYSA-N 1 1 287.407 3.194 20 70 CGIDMO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000161433546 372322901 /nfs/dbraw/zinc/32/29/01/372322901.db2.gz LHUBTFIMHASTON-NEPJUHHUSA-N 1 1 265.401 3.426 20 70 CGIDMO COC(=O)c1ccccc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000217611141 376176019 /nfs/dbraw/zinc/17/60/19/376176019.db2.gz NYYGHBMGIISFCN-STQMWFEESA-N 1 1 261.365 3.094 20 70 CGIDMO CN1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000217564313 376177254 /nfs/dbraw/zinc/17/72/54/376177254.db2.gz LCVZKWSLHUBYLA-RHSMWYFYSA-N 1 1 258.409 3.069 20 70 CGIDMO C[C@H]1C[N@H+](Cc2ccncc2)C[C@@H](c2ccccc2)O1 ZINC000217241313 392994221 /nfs/dbraw/zinc/99/42/21/392994221.db2.gz DREKYWANUSTUDN-YOEHRIQHSA-N 1 1 268.360 3.044 20 70 CGIDMO C[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H](c2ccccc2)O1 ZINC000217241313 392994228 /nfs/dbraw/zinc/99/42/28/392994228.db2.gz DREKYWANUSTUDN-YOEHRIQHSA-N 1 1 268.360 3.044 20 70 CGIDMO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217678985 292248310 /nfs/dbraw/zinc/24/83/10/292248310.db2.gz RKQHXNIECJWZDH-XIRDDKMYSA-N 1 1 258.409 3.272 20 70 CGIDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217678985 292248311 /nfs/dbraw/zinc/24/83/11/292248311.db2.gz RKQHXNIECJWZDH-XIRDDKMYSA-N 1 1 258.409 3.272 20 70 CGIDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000218305849 265111537 /nfs/dbraw/zinc/11/15/37/265111537.db2.gz QHBZMTLPSGMFBW-GFCCVEGCSA-N 1 1 299.773 3.254 20 70 CGIDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000218305849 265111538 /nfs/dbraw/zinc/11/15/38/265111538.db2.gz QHBZMTLPSGMFBW-GFCCVEGCSA-N 1 1 299.773 3.254 20 70 CGIDMO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159424588 321834846 /nfs/dbraw/zinc/83/48/46/321834846.db2.gz SRMHIJJZWCQBOE-WDEREUQCSA-N 1 1 298.377 3.309 20 70 CGIDMO CCCCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000161027279 321861116 /nfs/dbraw/zinc/86/11/16/321861116.db2.gz SNASCUAXQMKAQG-XHDPSFHLSA-N 1 1 298.377 3.310 20 70 CGIDMO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000217770229 329457545 /nfs/dbraw/zinc/45/75/45/329457545.db2.gz ZXAAYTKMHIYGBC-XQQFMLRXSA-N 1 1 255.402 3.133 20 70 CGIDMO CC[C@@H](NC1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000161437760 522813335 /nfs/dbraw/zinc/81/33/35/522813335.db2.gz BJTYSHNLFQQBMB-OAHLLOKOSA-N 1 1 296.842 3.484 20 70 CGIDMO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cncc(F)c1 ZINC000160886661 525438185 /nfs/dbraw/zinc/43/81/85/525438185.db2.gz PVBCJWDOPIDPOT-ZDUSSCGKSA-N 1 1 287.382 3.133 20 70 CGIDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000160982201 527388390 /nfs/dbraw/zinc/38/83/90/527388390.db2.gz FJYTXAINGKFMNF-GXTWGEPZSA-N 1 1 298.390 3.341 20 70 CGIDMO CC(C)n1ccnc1C[N@H+](C)CCc1ccc(F)cc1 ZINC000160838299 528604004 /nfs/dbraw/zinc/60/40/04/528604004.db2.gz GNHUBHYSVGWRMY-UHFFFAOYSA-N 1 1 275.371 3.278 20 70 CGIDMO CC(C)n1ccnc1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000160838299 528604011 /nfs/dbraw/zinc/60/40/11/528604011.db2.gz GNHUBHYSVGWRMY-UHFFFAOYSA-N 1 1 275.371 3.278 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000160080503 529343997 /nfs/dbraw/zinc/34/39/97/529343997.db2.gz IBFWJDOTCORTIG-OLZOCXBDSA-N 1 1 282.403 3.215 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000160080503 529343998 /nfs/dbraw/zinc/34/39/98/529343998.db2.gz IBFWJDOTCORTIG-OLZOCXBDSA-N 1 1 282.403 3.215 20 70 CGIDMO Cc1nccn1CCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783187 372180233 /nfs/dbraw/zinc/18/02/33/372180233.db2.gz BSMVIEBNYCTMIF-QGZVFWFLSA-N 1 1 269.392 3.071 20 70 CGIDMO C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1O ZINC000159469956 372147313 /nfs/dbraw/zinc/14/73/13/372147313.db2.gz TUHUCALVAAKYBR-DYVFJYSZSA-N 1 1 255.361 3.043 20 70 CGIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159506077 372150825 /nfs/dbraw/zinc/15/08/25/372150825.db2.gz RZCUJCREVFGCRX-ZFWWWQNUSA-N 1 1 298.386 3.032 20 70 CGIDMO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159687487 372167984 /nfs/dbraw/zinc/16/79/84/372167984.db2.gz MLVDIARMKPDKKC-HOCLYGCPSA-N 1 1 272.392 3.198 20 70 CGIDMO Cc1cc(NC[C@](C)(O)c2ccccc2Cl)nc(C)[nH+]1 ZINC000160149836 372218416 /nfs/dbraw/zinc/21/84/16/372218416.db2.gz VVYZFMQAEGRTCA-HNNXBMFYSA-N 1 1 291.782 3.066 20 70 CGIDMO CC(C)n1cc([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000160280251 372234021 /nfs/dbraw/zinc/23/40/21/372234021.db2.gz SBUXWDPIUFTGNO-HOTGVXAUSA-N 1 1 292.471 3.379 20 70 CGIDMO CCCCOCCNc1cc[nH+]cc1Br ZINC000159826142 372184640 /nfs/dbraw/zinc/18/46/40/372184640.db2.gz VYQNQIMFIFBWSY-UHFFFAOYSA-N 1 1 273.174 3.073 20 70 CGIDMO COc1ccccc1CC[N@@H+](C)Cc1cnc2ccccn12 ZINC000159830940 372185235 /nfs/dbraw/zinc/18/52/35/372185235.db2.gz QISFQULYNQMALC-UHFFFAOYSA-N 1 1 295.386 3.017 20 70 CGIDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159908612 372192288 /nfs/dbraw/zinc/19/22/88/372192288.db2.gz ZHHAYXSROZTNHE-ZIAGYGMSSA-N 1 1 292.448 3.116 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160575580 372259716 /nfs/dbraw/zinc/25/97/16/372259716.db2.gz JWZJAHJVXUFHQX-KGLIPLIRSA-N 1 1 287.411 3.091 20 70 CGIDMO C[C@H]1C[C@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000160658374 372266530 /nfs/dbraw/zinc/26/65/30/372266530.db2.gz MUSNNEZPNJRIOZ-DZGCQCFKSA-N 1 1 280.456 3.144 20 70 CGIDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160829238 372279593 /nfs/dbraw/zinc/27/95/93/372279593.db2.gz REPUKGUPHWKNPY-CQSZACIVSA-N 1 1 280.456 3.003 20 70 CGIDMO Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCCCO3)o1 ZINC000160842925 372281306 /nfs/dbraw/zinc/28/13/06/372281306.db2.gz NMAJFOQURMKAHW-UHFFFAOYSA-N 1 1 287.359 3.381 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2cccc3c2OCCCO3)o1 ZINC000160842925 372281309 /nfs/dbraw/zinc/28/13/09/372281309.db2.gz NMAJFOQURMKAHW-UHFFFAOYSA-N 1 1 287.359 3.381 20 70 CGIDMO CC[C@H](CSC)[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000161400813 372321306 /nfs/dbraw/zinc/32/13/06/372321306.db2.gz LRGQRSBVLZNYMK-LLVKDONJSA-N 1 1 263.410 3.136 20 70 CGIDMO Cc1ccc(OC(F)F)c([C@H](C)NC2CC[NH+](C)CC2)c1 ZINC000161428378 372324052 /nfs/dbraw/zinc/32/40/52/372324052.db2.gz DSEREDKZRZCJDP-LBPRGKRZSA-N 1 1 298.377 3.341 20 70 CGIDMO CC(C)[C@H](C)[N@@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000216933244 376170658 /nfs/dbraw/zinc/17/06/58/376170658.db2.gz FSBVGTICQUBAQH-GXTWGEPZSA-N 1 1 261.365 3.443 20 70 CGIDMO COc1cc([C@@H](C)NCCC[N@@H+](C)C(C)C)ccc1F ZINC000218228655 376186436 /nfs/dbraw/zinc/18/64/36/376186436.db2.gz RQVLQNNYVAMUGB-CYBMUJFWSA-N 1 1 282.403 3.215 20 70 CGIDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cncnc1 ZINC000159671016 542150809 /nfs/dbraw/zinc/15/08/09/542150809.db2.gz IQPZTCBDZDSULH-CQSZACIVSA-N 1 1 267.376 3.277 20 70 CGIDMO COc1ccccc1[C@H]1CCC[N@H+]1CCOCC1CC1 ZINC000160421675 533024397 /nfs/dbraw/zinc/02/43/97/533024397.db2.gz MHHXCQNZUJXMPH-MRXNPFEDSA-N 1 1 275.392 3.259 20 70 CGIDMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncnc1 ZINC000161137448 572357770 /nfs/dbraw/zinc/35/77/70/572357770.db2.gz WSOPNATUMZAMPA-UHFFFAOYSA-N 1 1 282.174 3.415 20 70 CGIDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncnc1 ZINC000161137448 572357774 /nfs/dbraw/zinc/35/77/74/572357774.db2.gz WSOPNATUMZAMPA-UHFFFAOYSA-N 1 1 282.174 3.415 20 70 CGIDMO CC[C@]1(C)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161310899 529395666 /nfs/dbraw/zinc/39/56/66/529395666.db2.gz HMKNFICJMHZLQZ-MRXNPFEDSA-N 1 1 252.446 3.375 20 70 CGIDMO CC[C@]1(C)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161310899 529395667 /nfs/dbraw/zinc/39/56/67/529395667.db2.gz HMKNFICJMHZLQZ-MRXNPFEDSA-N 1 1 252.446 3.375 20 70 CGIDMO CC(C)CCc1noc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000160558885 346171563 /nfs/dbraw/zinc/17/15/63/346171563.db2.gz HMGUISMNPIRCSH-KBPBESRZSA-N 1 1 277.412 3.423 20 70 CGIDMO CCOC[C@H]1CCC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159677410 372167775 /nfs/dbraw/zinc/16/77/75/372167775.db2.gz VRCYKESFRIEUEO-INIZCTEOSA-N 1 1 289.419 3.316 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)OC(C)(C)C)n1 ZINC000160256272 372231044 /nfs/dbraw/zinc/23/10/44/372231044.db2.gz SDTDUJCOBRYXOF-OAHLLOKOSA-N 1 1 290.407 3.259 20 70 CGIDMO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033617 372296377 /nfs/dbraw/zinc/29/63/77/372296377.db2.gz VMQUIDDPJVRNQL-UPJWGTAASA-N 1 1 252.427 3.272 20 70 CGIDMO CCOc1ccccc1C[N@H+](C)Cc1cnc2ccccn12 ZINC000160424703 372245354 /nfs/dbraw/zinc/24/53/54/372245354.db2.gz NLGFPYQXPGCUTI-UHFFFAOYSA-N 1 1 295.386 3.365 20 70 CGIDMO CCOc1ccccc1C[N@@H+](C)Cc1cnc2ccccn12 ZINC000160424703 372245362 /nfs/dbraw/zinc/24/53/62/372245362.db2.gz NLGFPYQXPGCUTI-UHFFFAOYSA-N 1 1 295.386 3.365 20 70 CGIDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000160546532 372255905 /nfs/dbraw/zinc/25/59/05/372255905.db2.gz GONRVGPANQWDLT-OLZOCXBDSA-N 1 1 282.453 3.121 20 70 CGIDMO c1c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nc2ccccn12 ZINC000160562914 372258113 /nfs/dbraw/zinc/25/81/13/372258113.db2.gz RAJPARREUQCOGB-ZFWWWQNUSA-N 1 1 255.365 3.099 20 70 CGIDMO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000160808218 372276699 /nfs/dbraw/zinc/27/66/99/372276699.db2.gz DPDSYGLZPOUGKA-MRXNPFEDSA-N 1 1 298.434 3.450 20 70 CGIDMO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000160808218 372276705 /nfs/dbraw/zinc/27/67/05/372276705.db2.gz DPDSYGLZPOUGKA-MRXNPFEDSA-N 1 1 298.434 3.450 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)n1 ZINC000160871122 372282764 /nfs/dbraw/zinc/28/27/64/372282764.db2.gz DXQJCKNUQMOVAX-ZDUSSCGKSA-N 1 1 285.391 3.246 20 70 CGIDMO COCCOc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000160871913 372283436 /nfs/dbraw/zinc/28/34/36/372283436.db2.gz GGLNKIHIBDTJGG-UHFFFAOYSA-N 1 1 289.375 3.245 20 70 CGIDMO COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000218124997 376185055 /nfs/dbraw/zinc/18/50/55/376185055.db2.gz QUQUPNJLLZSQBG-VUCTXSBTSA-N 1 1 292.398 3.112 20 70 CGIDMO OCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1F ZINC000218312793 376187400 /nfs/dbraw/zinc/18/74/00/376187400.db2.gz MACJOEBIJOBCOH-UHFFFAOYSA-N 1 1 293.769 3.474 20 70 CGIDMO OCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1F ZINC000218312793 376187407 /nfs/dbraw/zinc/18/74/07/376187407.db2.gz MACJOEBIJOBCOH-UHFFFAOYSA-N 1 1 293.769 3.474 20 70 CGIDMO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160871256 542156279 /nfs/dbraw/zinc/15/62/79/542156279.db2.gz ULNLTVWUOWWRDO-HZMBPMFUSA-N 1 1 298.224 3.213 20 70 CGIDMO C[C@@H](CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000216730026 392992502 /nfs/dbraw/zinc/99/25/02/392992502.db2.gz RDJFICVOSDVNRJ-ILXRZTDVSA-N 1 1 294.483 3.438 20 70 CGIDMO CC[C@@H](C)[N@H+](C)CCNCc1cc(C)c(C)cc1C ZINC000217373745 392993964 /nfs/dbraw/zinc/99/39/64/392993964.db2.gz JAAZZRDRYJLEAO-MRXNPFEDSA-N 1 1 262.441 3.432 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cc(C)c(C)cc1C ZINC000217373745 392993972 /nfs/dbraw/zinc/99/39/72/392993972.db2.gz JAAZZRDRYJLEAO-MRXNPFEDSA-N 1 1 262.441 3.432 20 70 CGIDMO CC[C@H](C)CN(C)c1cc[nH+]cc1Br ZINC000159952914 165472278 /nfs/dbraw/zinc/47/22/78/165472278.db2.gz SYTOAQBSOJDCDW-VIFPVBQESA-N 1 1 257.175 3.326 20 70 CGIDMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000159385338 278393749 /nfs/dbraw/zinc/39/37/49/278393749.db2.gz WHVGRMSKNCMNNB-AMIZOPFISA-N 1 1 274.191 3.293 20 70 CGIDMO Cc1cc[nH+]c(N2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000161214672 321864927 /nfs/dbraw/zinc/86/49/27/321864927.db2.gz XCIJTOOXIZYTKA-UHFFFAOYSA-N 1 1 266.344 3.389 20 70 CGIDMO COc1cccc(CCC[N@H+]2CCS[C@H](C)C2)c1 ZINC000160582147 525886328 /nfs/dbraw/zinc/88/63/28/525886328.db2.gz XBKUHODREKOKLT-CYBMUJFWSA-N 1 1 265.422 3.065 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000160408558 282089654 /nfs/dbraw/zinc/08/96/54/282089654.db2.gz DSDYUBKSXXZUMG-HNNXBMFYSA-N 1 1 295.390 3.093 20 70 CGIDMO CCCOc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217632679 346290928 /nfs/dbraw/zinc/29/09/28/346290928.db2.gz ILXQLUVIZJKCJZ-ROUUACIJSA-N 1 1 288.435 3.192 20 70 CGIDMO CCCOc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217632679 346290930 /nfs/dbraw/zinc/29/09/30/346290930.db2.gz ILXQLUVIZJKCJZ-ROUUACIJSA-N 1 1 288.435 3.192 20 70 CGIDMO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159508982 372150741 /nfs/dbraw/zinc/15/07/41/372150741.db2.gz MPRBZGALQJZQAV-NWDGAFQWSA-N 1 1 298.377 3.166 20 70 CGIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625412 372163435 /nfs/dbraw/zinc/16/34/35/372163435.db2.gz PVCSZNWGISSBTD-NWDGAFQWSA-N 1 1 294.464 3.131 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000159698548 372169593 /nfs/dbraw/zinc/16/95/93/372169593.db2.gz UDVKHQVYNXVJGZ-HNNXBMFYSA-N 1 1 269.392 3.407 20 70 CGIDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159751607 372175259 /nfs/dbraw/zinc/17/52/59/372175259.db2.gz YABIXSGNFMXBEU-JSGCOSHPSA-N 1 1 287.325 3.298 20 70 CGIDMO CCN1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC000159760459 372175517 /nfs/dbraw/zinc/17/55/17/372175517.db2.gz VKKCHOZODIVYBT-RHSMWYFYSA-N 1 1 278.415 3.078 20 70 CGIDMO CC(C)[N@@H+](Cc1ccc(CO)o1)C1CCCCC1 ZINC000159770020 372178476 /nfs/dbraw/zinc/17/84/76/372178476.db2.gz MBKQWKFZIBDYQF-UHFFFAOYSA-N 1 1 251.370 3.315 20 70 CGIDMO CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000160122087 372216106 /nfs/dbraw/zinc/21/61/06/372216106.db2.gz KBEJGPVNLDSCJW-GJZGRUSLSA-N 1 1 280.456 3.051 20 70 CGIDMO CCN1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252663 372229055 /nfs/dbraw/zinc/22/90/55/372229055.db2.gz KCXKDCUPXHLDGW-CZUORRHYSA-N 1 1 296.842 3.039 20 70 CGIDMO CC[N@@H+]1CC[C@@H](NCCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252663 372229058 /nfs/dbraw/zinc/22/90/58/372229058.db2.gz KCXKDCUPXHLDGW-CZUORRHYSA-N 1 1 296.842 3.039 20 70 CGIDMO CC[N@H+]1CC[C@@H](NCCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252663 372229064 /nfs/dbraw/zinc/22/90/64/372229064.db2.gz KCXKDCUPXHLDGW-CZUORRHYSA-N 1 1 296.842 3.039 20 70 CGIDMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC=CCC1 ZINC000159882077 372190786 /nfs/dbraw/zinc/19/07/86/372190786.db2.gz OTRXPVZYJFESFD-CQSZACIVSA-N 1 1 297.402 3.101 20 70 CGIDMO CCC[N@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159962826 372198027 /nfs/dbraw/zinc/19/80/27/372198027.db2.gz SJJQAJIYHLSRRF-HNNXBMFYSA-N 1 1 297.402 3.321 20 70 CGIDMO CCC[N@@H+](Cc1ccncc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159962826 372198036 /nfs/dbraw/zinc/19/80/36/372198036.db2.gz SJJQAJIYHLSRRF-HNNXBMFYSA-N 1 1 297.402 3.321 20 70 CGIDMO CCC[C@@H](C)N(C)c1cc[nH+]cc1Br ZINC000159955069 372198429 /nfs/dbraw/zinc/19/84/29/372198429.db2.gz VNYQOAJCVKPYDK-SECBINFHSA-N 1 1 257.175 3.469 20 70 CGIDMO CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(C)C)c1ccc(F)cc1F ZINC000161014676 372294733 /nfs/dbraw/zinc/29/47/33/372294733.db2.gz CIDJTGXCMYSNEN-XHDPSFHLSA-N 1 1 298.377 3.166 20 70 CGIDMO COc1ccnc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160388633 372244109 /nfs/dbraw/zinc/24/41/09/372244109.db2.gz MCQAFMUTBJDSJF-KRWDZBQOSA-N 1 1 283.375 3.131 20 70 CGIDMO COc1ccnc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160388633 372244116 /nfs/dbraw/zinc/24/41/16/372244116.db2.gz MCQAFMUTBJDSJF-KRWDZBQOSA-N 1 1 283.375 3.131 20 70 CGIDMO C[N@@H+](Cc1ccc(N2CCCC2)nc1)Cc1cccc(F)c1 ZINC000160462400 372249840 /nfs/dbraw/zinc/24/98/40/372249840.db2.gz RXOAHRAGDLEQAT-UHFFFAOYSA-N 1 1 299.393 3.453 20 70 CGIDMO Cc1cccn2c(C[N@@H+](C)Cc3cccc(F)c3)cnc12 ZINC000160465482 372250058 /nfs/dbraw/zinc/25/00/58/372250058.db2.gz RBMDEEKRSRROLB-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO Cc1cccn2c(C[N@H+](C)Cc3cccc(F)c3)cnc12 ZINC000160465482 372250067 /nfs/dbraw/zinc/25/00/67/372250067.db2.gz RBMDEEKRSRROLB-UHFFFAOYSA-N 1 1 283.350 3.414 20 70 CGIDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000160485568 372252352 /nfs/dbraw/zinc/25/23/52/372252352.db2.gz PXAPVUJVWDZCTQ-HNNXBMFYSA-N 1 1 257.381 3.345 20 70 CGIDMO CC(C)c1ccc(C[N@@H+](C)Cc2cnc(N(C)C)nc2)cc1 ZINC000160668046 372266715 /nfs/dbraw/zinc/26/67/15/372266715.db2.gz WCVXZGJLECWYHC-UHFFFAOYSA-N 1 1 298.434 3.298 20 70 CGIDMO C[C@@H]1C[C@@H]1CN[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000160684997 372267950 /nfs/dbraw/zinc/26/79/50/372267950.db2.gz WVZXQEOMYCYJOE-JLZZUVOBSA-N 1 1 254.377 3.085 20 70 CGIDMO CCCC[N@H+](Cc1nncn1C)[C@@H](C)c1ccccc1 ZINC000160871491 372283521 /nfs/dbraw/zinc/28/35/21/372283521.db2.gz FCVYZLSVIHRDRX-AWEZNQCLSA-N 1 1 272.396 3.178 20 70 CGIDMO CCCC[N@@H+](Cc1nncn1C)[C@@H](C)c1ccccc1 ZINC000160871491 372283528 /nfs/dbraw/zinc/28/35/28/372283528.db2.gz FCVYZLSVIHRDRX-AWEZNQCLSA-N 1 1 272.396 3.178 20 70 CGIDMO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000161433681 372324279 /nfs/dbraw/zinc/32/42/79/372324279.db2.gz LHUBTFIMHASTON-RYUDHWBXSA-N 1 1 265.401 3.426 20 70 CGIDMO CCCN1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000160955647 542157415 /nfs/dbraw/zinc/15/74/15/542157415.db2.gz AMAULUVJJICCGM-MRXNPFEDSA-N 1 1 272.436 3.180 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000160075238 392580432 /nfs/dbraw/zinc/58/04/32/392580432.db2.gz DFWVKTFKALBEPO-XJKSGUPXSA-N 1 1 294.414 3.359 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000160075238 392580436 /nfs/dbraw/zinc/58/04/36/392580436.db2.gz DFWVKTFKALBEPO-XJKSGUPXSA-N 1 1 294.414 3.359 20 70 CGIDMO CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000218202778 263088050 /nfs/dbraw/zinc/08/80/50/263088050.db2.gz LVZZMGVXSHNERB-CVEARBPZSA-N 1 1 275.392 3.208 20 70 CGIDMO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccco1 ZINC000160758440 277627790 /nfs/dbraw/zinc/62/77/90/277627790.db2.gz AALOQMFCQJMTIZ-ZBFHGGJFSA-N 1 1 298.386 3.294 20 70 CGIDMO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159509261 321835914 /nfs/dbraw/zinc/83/59/14/321835914.db2.gz MPRBZGALQJZQAV-VXGBXAGGSA-N 1 1 298.377 3.166 20 70 CGIDMO CCSCC[C@H](C)[N@@H+](C)Cc1cnc2ccccn12 ZINC000160904419 521715069 /nfs/dbraw/zinc/71/50/69/521715069.db2.gz NZHPZCRMJWZACM-ZDUSSCGKSA-N 1 1 277.437 3.298 20 70 CGIDMO CCS[C@@H]1CCCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160363853 521723286 /nfs/dbraw/zinc/72/32/86/521723286.db2.gz LRKBWBRAFWGWAK-OAHLLOKOSA-N 1 1 289.448 3.442 20 70 CGIDMO CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(F)cc1F ZINC000160835483 522817070 /nfs/dbraw/zinc/81/70/70/522817070.db2.gz KLTRCAUOJJVLSL-OAHLLOKOSA-N 1 1 296.361 3.064 20 70 CGIDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2cnccn2)C1 ZINC000161016752 523251399 /nfs/dbraw/zinc/25/13/99/523251399.db2.gz MMEINDNUVSGJEY-LSDHHAIUSA-N 1 1 290.455 3.028 20 70 CGIDMO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cn1 ZINC000160669604 524072935 /nfs/dbraw/zinc/07/29/35/524072935.db2.gz DMFOHTLBPSFLGV-UHFFFAOYSA-N 1 1 280.730 3.173 20 70 CGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972516 524912446 /nfs/dbraw/zinc/91/24/46/524912446.db2.gz DGQHNIJNJANJDM-OAOQPFQOSA-N 1 1 272.436 3.035 20 70 CGIDMO COc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112425 525160018 /nfs/dbraw/zinc/16/00/18/525160018.db2.gz RSAOBSSNCRNSLX-BMFZPTHFSA-N 1 1 276.424 3.219 20 70 CGIDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000161262062 525385865 /nfs/dbraw/zinc/38/58/65/525385865.db2.gz JBYWRRFYIKGKSB-PHIMTYICSA-N 1 1 250.411 3.498 20 70 CGIDMO Fc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000160969909 526300067 /nfs/dbraw/zinc/30/00/67/526300067.db2.gz QCXWSTHHNPPGKM-LSDHHAIUSA-N 1 1 282.790 3.196 20 70 CGIDMO Cc1cc(C)cc(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161351854 572883897 /nfs/dbraw/zinc/88/38/97/572883897.db2.gz IHWFLOUXODULDU-UHFFFAOYSA-N 1 1 281.403 3.021 20 70 CGIDMO COc1ccc([C@H](C)[N@@H+](C)CCCn2ccnc2C)cc1 ZINC000161353784 232249494 /nfs/dbraw/zinc/24/94/94/232249494.db2.gz YVWQWFGJUXVPGQ-AWEZNQCLSA-N 1 1 287.407 3.283 20 70 CGIDMO CC[C@@H](CC(=O)NCC[N@@H+](C)C(C)C)c1ccc(C)cc1 ZINC000160180242 346169897 /nfs/dbraw/zinc/16/98/97/346169897.db2.gz GKBCTTKREHNKTJ-INIZCTEOSA-N 1 1 290.451 3.335 20 70 CGIDMO CC1CCC([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000218757732 376190248 /nfs/dbraw/zinc/19/02/48/376190248.db2.gz VFYCVQDXOZULII-PREGVCBESA-N 1 1 261.409 3.101 20 70 CGIDMO Fc1ccc(C[N@H+](CCOCC2CC2)C2CC2)c(F)c1 ZINC000159368183 372136324 /nfs/dbraw/zinc/13/63/24/372136324.db2.gz REGUYSPNQAKDDF-UHFFFAOYSA-N 1 1 281.346 3.356 20 70 CGIDMO Fc1ccc(C[N@@H+](CCOCC2CC2)C2CC2)c(F)c1 ZINC000159368183 372136335 /nfs/dbraw/zinc/13/63/35/372136335.db2.gz REGUYSPNQAKDDF-UHFFFAOYSA-N 1 1 281.346 3.356 20 70 CGIDMO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159459985 372145767 /nfs/dbraw/zinc/14/57/67/372145767.db2.gz QSDHZXYZVBZHGI-SRVKXCTJSA-N 1 1 298.377 3.309 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000159792850 372181461 /nfs/dbraw/zinc/18/14/61/372181461.db2.gz WDVYTKXBRRSOCC-MRXNPFEDSA-N 1 1 253.349 3.122 20 70 CGIDMO C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCOCC1CC1 ZINC000159764531 372177610 /nfs/dbraw/zinc/17/76/10/372177610.db2.gz QGDJORUCQICJFE-NSHDSACASA-N 1 1 269.335 3.384 20 70 CGIDMO c1csc([C@H]([NH2+]CCOCC2CC2)c2ccccc2)n1 ZINC000159822058 372182680 /nfs/dbraw/zinc/18/26/80/372182680.db2.gz VARXBBJZMRAYFX-OAHLLOKOSA-N 1 1 288.416 3.249 20 70 CGIDMO COc1cc2c(cc1OC)C[N@H+](Cc1occc1C)CC2 ZINC000159780002 372179802 /nfs/dbraw/zinc/17/98/02/372179802.db2.gz PTPCZHPKEBHFRC-UHFFFAOYSA-N 1 1 287.359 3.164 20 70 CGIDMO COc1cc2c(cc1OC)C[N@@H+](Cc1occc1C)CC2 ZINC000159780002 372179807 /nfs/dbraw/zinc/17/98/07/372179807.db2.gz PTPCZHPKEBHFRC-UHFFFAOYSA-N 1 1 287.359 3.164 20 70 CGIDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160247836 372230032 /nfs/dbraw/zinc/23/00/32/372230032.db2.gz VDGSJKUARUSACA-DZGCQCFKSA-N 1 1 294.464 3.232 20 70 CGIDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000160276598 372233907 /nfs/dbraw/zinc/23/39/07/372233907.db2.gz AQQLPOAZGDOVLX-KBPBESRZSA-N 1 1 279.403 3.136 20 70 CGIDMO CC(C)c1ccc(OCC[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000160326252 372237344 /nfs/dbraw/zinc/23/73/44/372237344.db2.gz IRCIGAFNDRJOBH-NVXWUHKLSA-N 1 1 290.451 3.261 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC000160404811 372243987 /nfs/dbraw/zinc/24/39/87/372243987.db2.gz ZONWLVHJWGZLNV-ZIAGYGMSSA-N 1 1 294.464 3.088 20 70 CGIDMO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)cc1 ZINC000160809802 372277031 /nfs/dbraw/zinc/27/70/31/372277031.db2.gz WGRQNMPAGCKLOT-UHFFFAOYSA-N 1 1 265.740 3.057 20 70 CGIDMO C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)cc1 ZINC000160809802 372277041 /nfs/dbraw/zinc/27/70/41/372277041.db2.gz WGRQNMPAGCKLOT-UHFFFAOYSA-N 1 1 265.740 3.057 20 70 CGIDMO Cn1ccnc1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000160835216 372280107 /nfs/dbraw/zinc/28/01/07/372280107.db2.gz BKZYLNRLKGGZMY-INIZCTEOSA-N 1 1 267.376 3.072 20 70 CGIDMO Cn1ccnc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000160835216 372280115 /nfs/dbraw/zinc/28/01/15/372280115.db2.gz BKZYLNRLKGGZMY-INIZCTEOSA-N 1 1 267.376 3.072 20 70 CGIDMO CC1(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000160874171 372284119 /nfs/dbraw/zinc/28/41/19/372284119.db2.gz OCVNWNFQMFZWPH-CQSZACIVSA-N 1 1 293.455 3.025 20 70 CGIDMO CC[NH2+]CC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000161152561 372306245 /nfs/dbraw/zinc/30/62/45/372306245.db2.gz KRHHRUKDTJKVEM-UHFFFAOYSA-N 1 1 284.806 3.301 20 70 CGIDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccnc1Cl ZINC000161173316 372307433 /nfs/dbraw/zinc/30/74/33/372307433.db2.gz UXOXPQQGPWYJJZ-QWHCGFSZSA-N 1 1 281.831 3.260 20 70 CGIDMO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccnc1Cl ZINC000161173316 372307438 /nfs/dbraw/zinc/30/74/38/372307438.db2.gz UXOXPQQGPWYJJZ-QWHCGFSZSA-N 1 1 281.831 3.260 20 70 CGIDMO c1c2ccccc2oc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217631640 376176846 /nfs/dbraw/zinc/17/68/46/376176846.db2.gz KLWNHHHVIAAOIX-HOTGVXAUSA-N 1 1 270.376 3.149 20 70 CGIDMO c1c2ccccc2oc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217631640 376176851 /nfs/dbraw/zinc/17/68/51/376176851.db2.gz KLWNHHHVIAAOIX-HOTGVXAUSA-N 1 1 270.376 3.149 20 70 CGIDMO CC(C)N(CC[NH2+]Cc1cccc2cc[nH]c21)C(C)C ZINC000218071787 376182455 /nfs/dbraw/zinc/18/24/55/376182455.db2.gz ZIDIJPUCCYINCA-UHFFFAOYSA-N 1 1 273.424 3.376 20 70 CGIDMO CN(C(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21)C1CCCCC1 ZINC000160552409 542154878 /nfs/dbraw/zinc/15/48/78/542154878.db2.gz JIAJKUALLGYQFO-HOCLYGCPSA-N 1 1 278.440 3.042 20 70 CGIDMO Cc1cc(N[C@H]2CCCc3cc(N)ccc32)nc(C)[nH+]1 ZINC000159477370 392580995 /nfs/dbraw/zinc/58/09/95/392580995.db2.gz MPWSQRRHBCNHOO-HNNXBMFYSA-N 1 1 268.364 3.165 20 70 CGIDMO Cc1ccccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217675128 392994031 /nfs/dbraw/zinc/99/40/31/392994031.db2.gz SRZUNUYAHIYJPN-UAGQMJEPSA-N 1 1 258.409 3.272 20 70 CGIDMO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217675128 392994036 /nfs/dbraw/zinc/99/40/36/392994036.db2.gz SRZUNUYAHIYJPN-UAGQMJEPSA-N 1 1 258.409 3.272 20 70 CGIDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000218686478 262178613 /nfs/dbraw/zinc/17/86/13/262178613.db2.gz FROUJDKLAZRKEU-KRWDZBQOSA-N 1 1 289.806 3.375 20 70 CGIDMO CCC(CC)[N@@H+](CCOC)Cc1c(C)nc2ccccn21 ZINC000159707031 276210544 /nfs/dbraw/zinc/21/05/44/276210544.db2.gz WFDYRQASPAIMCY-UHFFFAOYSA-N 1 1 289.423 3.280 20 70 CGIDMO C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cnccn1 ZINC000161279453 278374168 /nfs/dbraw/zinc/37/41/68/278374168.db2.gz YCLLNLXLOUJZHN-ZWNOBZJWSA-N 1 1 289.766 3.304 20 70 CGIDMO Cc1nccn1CCCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000161502105 527393712 /nfs/dbraw/zinc/39/37/12/527393712.db2.gz NEJWZGIWLJCJCI-ZDUSSCGKSA-N 1 1 261.369 3.258 20 70 CGIDMO Cc1nc(C)c(C[N@H+](C)Cc2cccc(N(C)C)c2)s1 ZINC000159853532 232241064 /nfs/dbraw/zinc/24/10/64/232241064.db2.gz DFNUQGZLXSPCEO-UHFFFAOYSA-N 1 1 289.448 3.458 20 70 CGIDMO c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c2c(c1)OCCO2 ZINC000159702526 346168752 /nfs/dbraw/zinc/16/87/52/346168752.db2.gz DIAJWROWSLHHHO-ZFWWWQNUSA-N 1 1 273.376 3.222 20 70 CGIDMO CC(C)[N@@H+](CCc1nccs1)CC1(O)CCC(C)CC1 ZINC000159780598 372180288 /nfs/dbraw/zinc/18/02/88/372180288.db2.gz UXEWBMLGEKNVTL-UHFFFAOYSA-N 1 1 296.480 3.337 20 70 CGIDMO C[N@@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159623047 372162279 /nfs/dbraw/zinc/16/22/79/372162279.db2.gz VDCLDHYPRQQMBS-UHFFFAOYSA-N 1 1 280.456 3.003 20 70 CGIDMO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159634264 372162460 /nfs/dbraw/zinc/16/24/60/372162460.db2.gz OZSYPNIZIHSBGF-HNAYVOBHSA-N 1 1 294.398 3.317 20 70 CGIDMO C[C@@H](c1ccccn1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159634264 372162465 /nfs/dbraw/zinc/16/24/65/372162465.db2.gz OZSYPNIZIHSBGF-HNAYVOBHSA-N 1 1 294.398 3.317 20 70 CGIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625031 372162800 /nfs/dbraw/zinc/16/28/00/372162800.db2.gz PVCSZNWGISSBTD-NEPJUHHUSA-N 1 1 294.464 3.131 20 70 CGIDMO CC1(C)CCC(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160083757 372211021 /nfs/dbraw/zinc/21/10/21/372211021.db2.gz MILZXVYURLWPKM-OAHLLOKOSA-N 1 1 292.467 3.336 20 70 CGIDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160247964 372230009 /nfs/dbraw/zinc/23/00/09/372230009.db2.gz VDGSJKUARUSACA-ZFWWWQNUSA-N 1 1 294.464 3.232 20 70 CGIDMO CC(C)c1ccc(OCC[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000160326556 372239659 /nfs/dbraw/zinc/23/96/59/372239659.db2.gz IRCIGAFNDRJOBH-RDJZCZTQSA-N 1 1 290.451 3.261 20 70 CGIDMO CCc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2)o1 ZINC000159859691 372186484 /nfs/dbraw/zinc/18/64/84/372186484.db2.gz ASHDCVKDEFCZLS-UHFFFAOYSA-N 1 1 259.349 3.483 20 70 CGIDMO COCC[N@@H+](Cc1scnc1C)Cc1ccccc1 ZINC000160452318 372248541 /nfs/dbraw/zinc/24/85/41/372248541.db2.gz TVROSGRPHMDGKZ-UHFFFAOYSA-N 1 1 276.405 3.100 20 70 CGIDMO CCOc1cccc(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000160464388 372250436 /nfs/dbraw/zinc/25/04/36/372250436.db2.gz BOQMWNIKZRFLGY-UHFFFAOYSA-N 1 1 274.339 3.251 20 70 CGIDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000160464388 372250441 /nfs/dbraw/zinc/25/04/41/372250441.db2.gz BOQMWNIKZRFLGY-UHFFFAOYSA-N 1 1 274.339 3.251 20 70 CGIDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccccn12 ZINC000160478229 372251368 /nfs/dbraw/zinc/25/13/68/372251368.db2.gz MGYAVPUBIZKCCE-FMKPAKJESA-N 1 1 269.392 3.487 20 70 CGIDMO CCC[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1 ZINC000160478303 372252014 /nfs/dbraw/zinc/25/20/14/372252014.db2.gz FWNJYSIOMVKPHI-UHFFFAOYSA-N 1 1 259.349 3.184 20 70 CGIDMO Cn1cnnc1C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000160843280 372281213 /nfs/dbraw/zinc/28/12/13/372281213.db2.gz RTHCVQZEDRLDDP-KRWDZBQOSA-N 1 1 292.386 3.305 20 70 CGIDMO COc1ccc(C[N@H+](C)Cc2scnc2C)c(OC)c1 ZINC000160838736 372281467 /nfs/dbraw/zinc/28/14/67/372281467.db2.gz HXYAPYQMCLCWNL-UHFFFAOYSA-N 1 1 292.404 3.101 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2scnc2C)c(OC)c1 ZINC000160838736 372281469 /nfs/dbraw/zinc/28/14/69/372281469.db2.gz HXYAPYQMCLCWNL-UHFFFAOYSA-N 1 1 292.404 3.101 20 70 CGIDMO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccc(C)o1 ZINC000160879402 372284907 /nfs/dbraw/zinc/28/49/07/372284907.db2.gz RZXPOMXQNGZRPK-UHFFFAOYSA-N 1 1 275.396 3.078 20 70 CGIDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(C)o1 ZINC000160879402 372284917 /nfs/dbraw/zinc/28/49/17/372284917.db2.gz RZXPOMXQNGZRPK-UHFFFAOYSA-N 1 1 275.396 3.078 20 70 CGIDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000161112195 372302315 /nfs/dbraw/zinc/30/23/15/372302315.db2.gz QXLNAJPHKDMFMR-KCXAZCMYSA-N 1 1 264.388 3.349 20 70 CGIDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccccc1OC ZINC000161175314 372307394 /nfs/dbraw/zinc/30/73/94/372307394.db2.gz DZCYQBASBWAJEX-GJZGRUSLSA-N 1 1 276.424 3.220 20 70 CGIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccccc1OC ZINC000161175314 372307398 /nfs/dbraw/zinc/30/73/98/372307398.db2.gz DZCYQBASBWAJEX-GJZGRUSLSA-N 1 1 276.424 3.220 20 70 CGIDMO C[N@H+](Cc1cccs1)Cc1ccc([S@](C)=O)cc1 ZINC000160612947 542155338 /nfs/dbraw/zinc/15/53/38/542155338.db2.gz COTGCAWSMLVMFA-GOSISDBHSA-N 1 1 279.430 3.118 20 70 CGIDMO C[N@@H+](Cc1cccs1)Cc1ccc([S@](C)=O)cc1 ZINC000160612947 542155342 /nfs/dbraw/zinc/15/53/42/542155342.db2.gz COTGCAWSMLVMFA-GOSISDBHSA-N 1 1 279.430 3.118 20 70 CGIDMO Cc1cc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)o1 ZINC000217699116 392996031 /nfs/dbraw/zinc/99/60/31/392996031.db2.gz JPJGRGKSSMZWDR-MAZHCROVSA-N 1 1 262.397 3.174 20 70 CGIDMO Cc1cc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c(C)o1 ZINC000217699116 392996037 /nfs/dbraw/zinc/99/60/37/392996037.db2.gz JPJGRGKSSMZWDR-MAZHCROVSA-N 1 1 262.397 3.174 20 70 CGIDMO CC[N@@H+](CCCCCO)Cc1ccc(Cl)s1 ZINC000160961042 521001507 /nfs/dbraw/zinc/00/15/07/521001507.db2.gz UVNNDTJOMHQLGB-UHFFFAOYSA-N 1 1 261.818 3.386 20 70 CGIDMO CC(C)COC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000160824760 528080590 /nfs/dbraw/zinc/08/05/90/528080590.db2.gz ZLTSGBXQTKLLFR-UHFFFAOYSA-N 1 1 279.428 3.101 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2nc(C)ccc2c1 ZINC000161469285 529343008 /nfs/dbraw/zinc/34/30/08/529343008.db2.gz SASPPOVQAUDPIC-CQSZACIVSA-N 1 1 299.418 3.003 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000161202465 572883360 /nfs/dbraw/zinc/88/33/60/572883360.db2.gz CVECJWWLDXNOQZ-AWEZNQCLSA-N 1 1 295.423 3.077 20 70 CGIDMO Cc1nc2ccccn2c1C[NH2+]C(C)(C)c1nccs1 ZINC000160476430 232245433 /nfs/dbraw/zinc/24/54/33/232245433.db2.gz IZZSTODEULKNTH-UHFFFAOYSA-N 1 1 286.404 3.124 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@@H+]2CCN2CCCCC2)n1 ZINC000159780815 372180142 /nfs/dbraw/zinc/18/01/42/372180142.db2.gz ZXEFXRXHBXVUKJ-QGZVFWFLSA-N 1 1 273.424 3.013 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCN2CCCCC2)n1 ZINC000159780815 372180146 /nfs/dbraw/zinc/18/01/46/372180146.db2.gz ZXEFXRXHBXVUKJ-QGZVFWFLSA-N 1 1 273.424 3.013 20 70 CGIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159506341 372150540 /nfs/dbraw/zinc/15/05/40/372150540.db2.gz RZCUJCREVFGCRX-DZGCQCFKSA-N 1 1 298.386 3.032 20 70 CGIDMO Cc1ncc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)s1 ZINC000160078682 372210549 /nfs/dbraw/zinc/21/05/49/372210549.db2.gz XIUQKYXLPWNBLB-HNNXBMFYSA-N 1 1 273.405 3.492 20 70 CGIDMO Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000160177069 372222318 /nfs/dbraw/zinc/22/23/18/372222318.db2.gz TVXZAXGVTCQAOF-LNRIEFBSSA-N 1 1 258.409 3.271 20 70 CGIDMO Cc1cccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000160177069 372222324 /nfs/dbraw/zinc/22/23/24/372222324.db2.gz TVXZAXGVTCQAOF-LNRIEFBSSA-N 1 1 258.409 3.271 20 70 CGIDMO Cc1cccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000160177069 372222330 /nfs/dbraw/zinc/22/23/30/372222330.db2.gz TVXZAXGVTCQAOF-LNRIEFBSSA-N 1 1 258.409 3.271 20 70 CGIDMO CSC[C@@H]1CCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160305296 372236127 /nfs/dbraw/zinc/23/61/27/372236127.db2.gz FVFNKPBYDYYJQN-HNNXBMFYSA-N 1 1 277.433 3.395 20 70 CGIDMO CC(C)[N@@H+](CCc1nccs1)CCN1CCC(C)CC1 ZINC000159881618 372190942 /nfs/dbraw/zinc/19/09/42/372190942.db2.gz OHAXHXUACSJQEC-UHFFFAOYSA-N 1 1 295.496 3.128 20 70 CGIDMO CC(C)[N@H+](CCc1nccs1)CCN1CCC(C)CC1 ZINC000159881618 372190950 /nfs/dbraw/zinc/19/09/50/372190950.db2.gz OHAXHXUACSJQEC-UHFFFAOYSA-N 1 1 295.496 3.128 20 70 CGIDMO CC[N@@H+](CCCc1nc(-c2ccccc2)no1)C(C)C ZINC000159981528 372201277 /nfs/dbraw/zinc/20/12/77/372201277.db2.gz OAOXQBLUEYAUEE-UHFFFAOYSA-N 1 1 273.380 3.400 20 70 CGIDMO CC[C@H]([NH2+][C@H](C)C(=O)NCC(C)C)c1ccc(F)cc1F ZINC000161014769 372294244 /nfs/dbraw/zinc/29/42/44/372294244.db2.gz CIDJTGXCMYSNEN-ABAIWWIYSA-N 1 1 298.377 3.166 20 70 CGIDMO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161039869 372296069 /nfs/dbraw/zinc/29/60/69/372296069.db2.gz AKTPRSRBKBCNBO-QEJZJMRPSA-N 1 1 294.414 3.358 20 70 CGIDMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000160734735 372271282 /nfs/dbraw/zinc/27/12/82/372271282.db2.gz XPNSHCLLCINNRR-OAHLLOKOSA-N 1 1 283.437 3.010 20 70 CGIDMO CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)C1CCCC1 ZINC000160796532 372275785 /nfs/dbraw/zinc/27/57/85/372275785.db2.gz XIZNELAZTTZXES-UHFFFAOYSA-N 1 1 284.407 3.247 20 70 CGIDMO Cc1ccc(C[N@@H+](C)Cc2cnc3cc(C)ccn23)o1 ZINC000160855329 372283213 /nfs/dbraw/zinc/28/32/13/372283213.db2.gz MAEOVNPSFCIZME-UHFFFAOYSA-N 1 1 269.348 3.176 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2cnc3cc(C)ccn23)o1 ZINC000160855329 372283219 /nfs/dbraw/zinc/28/32/19/372283219.db2.gz MAEOVNPSFCIZME-UHFFFAOYSA-N 1 1 269.348 3.176 20 70 CGIDMO Cc1nc2c(s1)[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161102943 372302256 /nfs/dbraw/zinc/30/22/56/372302256.db2.gz JFIRFARKVNFTQW-VNHYZAJKSA-N 1 1 293.480 3.291 20 70 CGIDMO CC[N@H+](Cc1cnn(C)c1)Cc1ccccc1OC(F)F ZINC000161123258 372302351 /nfs/dbraw/zinc/30/23/51/372302351.db2.gz ROINGEVQUJWUDO-UHFFFAOYSA-N 1 1 295.333 3.044 20 70 CGIDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccccc1OC(F)F ZINC000161123258 372302354 /nfs/dbraw/zinc/30/23/54/372302354.db2.gz ROINGEVQUJWUDO-UHFFFAOYSA-N 1 1 295.333 3.044 20 70 CGIDMO CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000161433953 372322936 /nfs/dbraw/zinc/32/29/36/372322936.db2.gz LHUBTFIMHASTON-NWDGAFQWSA-N 1 1 265.401 3.426 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000161427872 372323899 /nfs/dbraw/zinc/32/38/99/372323899.db2.gz RHQKVMLWVZMQQW-OAHLLOKOSA-N 1 1 278.444 3.397 20 70 CGIDMO C[C@H](O)C[N@@H+](C)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000159385239 392579660 /nfs/dbraw/zinc/57/96/60/392579660.db2.gz WHVGRMSKNCMNNB-ISVAXAHUSA-N 1 1 274.191 3.293 20 70 CGIDMO C[N@H+]1CCN(Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000216734744 392992443 /nfs/dbraw/zinc/99/24/43/392992443.db2.gz HBURQRYLCXQUQH-GOSISDBHSA-N 1 1 284.378 3.314 20 70 CGIDMO CCOc1ccccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217659495 392994461 /nfs/dbraw/zinc/99/44/61/392994461.db2.gz VFEWUDXRCXHVIO-XIRDDKMYSA-N 1 1 288.435 3.363 20 70 CGIDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000218731328 270085443 /nfs/dbraw/zinc/08/54/43/270085443.db2.gz MHBFZEZINYUMQO-IXDOHACOSA-N 1 1 295.373 3.480 20 70 CGIDMO CC[C@H]([NH2+][C@@H](C)C(=O)NCC(C)C)c1ccc(F)cc1F ZINC000161014560 321861133 /nfs/dbraw/zinc/86/11/33/321861133.db2.gz CIDJTGXCMYSNEN-NHYWBVRUSA-N 1 1 298.377 3.166 20 70 CGIDMO CC[C@H]([NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c1nccs1 ZINC000161175299 321864002 /nfs/dbraw/zinc/86/40/02/321864002.db2.gz MTTIKCFJBTYCNZ-OLZOCXBDSA-N 1 1 297.468 3.218 20 70 CGIDMO CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2cnccn2)C1 ZINC000161016835 523089030 /nfs/dbraw/zinc/08/90/30/523089030.db2.gz MMEINDNUVSGJEY-GJZGRUSLSA-N 1 1 290.455 3.028 20 70 CGIDMO CCn1cc([C@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)cn1 ZINC000160389942 523473060 /nfs/dbraw/zinc/47/30/60/523473060.db2.gz CZBUOVKLKNHOGS-WMLDXEAASA-N 1 1 292.471 3.064 20 70 CGIDMO Cc1ncc(C[N@H+](CCc2nccs2)C(C)C)s1 ZINC000159886515 232241105 /nfs/dbraw/zinc/24/11/05/232241105.db2.gz FIKVLWGHACJYKK-UHFFFAOYSA-N 1 1 281.450 3.361 20 70 CGIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)cc1F ZINC000159677383 372168782 /nfs/dbraw/zinc/16/87/82/372168782.db2.gz AAOYIZJJTYSICC-NHYWBVRUSA-N 1 1 294.345 3.168 20 70 CGIDMO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159736142 372173516 /nfs/dbraw/zinc/17/35/16/372173516.db2.gz QRDWVFBPSFRXFI-RYUDHWBXSA-N 1 1 263.385 3.132 20 70 CGIDMO CC(C)(C)c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159736142 372173523 /nfs/dbraw/zinc/17/35/23/372173523.db2.gz QRDWVFBPSFRXFI-RYUDHWBXSA-N 1 1 263.385 3.132 20 70 CGIDMO Clc1ccc(C[N@@H+](CCn2ccnc2)C2CC2)cc1 ZINC000159760139 372176012 /nfs/dbraw/zinc/17/60/12/372176012.db2.gz LEYZAPOCYVQAAM-UHFFFAOYSA-N 1 1 275.783 3.201 20 70 CGIDMO Cc1nccc(NC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000159759283 372176632 /nfs/dbraw/zinc/17/66/32/372176632.db2.gz QXJNBWQVUBLEFK-UHFFFAOYSA-N 1 1 284.407 3.108 20 70 CGIDMO Clc1ccccc1C[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000159774262 372177750 /nfs/dbraw/zinc/17/77/50/372177750.db2.gz YFVDANGYSNKYQN-OAHLLOKOSA-N 1 1 289.810 3.244 20 70 CGIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@](C)(CC)C1 ZINC000159826895 372184289 /nfs/dbraw/zinc/18/42/89/372184289.db2.gz PSDNHKUNSZKDHL-HNNXBMFYSA-N 1 1 264.417 3.009 20 70 CGIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@](C)(CC)C1 ZINC000159826895 372184295 /nfs/dbraw/zinc/18/42/95/372184295.db2.gz PSDNHKUNSZKDHL-HNNXBMFYSA-N 1 1 264.417 3.009 20 70 CGIDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCn2ccnc2)C1 ZINC000159839082 372184831 /nfs/dbraw/zinc/18/48/31/372184831.db2.gz HHKRLIPLENNQRG-CVEARBPZSA-N 1 1 269.392 3.070 20 70 CGIDMO CCC[C@H](C)N(C)c1cc[nH+]cc1Br ZINC000159955225 372197791 /nfs/dbraw/zinc/19/77/91/372197791.db2.gz VNYQOAJCVKPYDK-VIFPVBQESA-N 1 1 257.175 3.469 20 70 CGIDMO C[C@@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)CCN1C ZINC000160476005 372250363 /nfs/dbraw/zinc/25/03/63/372250363.db2.gz OMWSFKPFOYIPRP-CABCVRRESA-N 1 1 290.476 3.384 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000160567549 372257652 /nfs/dbraw/zinc/25/76/52/372257652.db2.gz SHZUMUIRYKTTOP-MRXNPFEDSA-N 1 1 299.418 3.018 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)Cc1nc(N)c2ccccc2n1 ZINC000160567830 372259425 /nfs/dbraw/zinc/25/94/25/372259425.db2.gz TXPSMUYHGOWCHJ-LBPRGKRZSA-N 1 1 272.396 3.080 20 70 CGIDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C)cc2)c1C ZINC000160636873 372264864 /nfs/dbraw/zinc/26/48/64/372264864.db2.gz DVNCDLYGCVUAHC-UHFFFAOYSA-N 1 1 271.408 3.460 20 70 CGIDMO COC(C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1)OC ZINC000160697442 372269951 /nfs/dbraw/zinc/26/99/51/372269951.db2.gz JJHIULHVUKWYPE-HNNXBMFYSA-N 1 1 263.381 3.059 20 70 CGIDMO c1nc2ccccn2c1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000160793396 372275485 /nfs/dbraw/zinc/27/54/85/372275485.db2.gz RHUJZFDYZPYWGR-QGZVFWFLSA-N 1 1 299.418 3.258 20 70 CGIDMO CCN1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000161355606 372317755 /nfs/dbraw/zinc/31/77/55/372317755.db2.gz HPEVQKMFMMOKSM-RHSMWYFYSA-N 1 1 290.426 3.177 20 70 CGIDMO C[NH+]1CCC(N[C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000161423118 372323423 /nfs/dbraw/zinc/32/34/23/372323423.db2.gz ZNBPCWHSTUKEQM-HNNXBMFYSA-N 1 1 294.826 3.238 20 70 CGIDMO CCC(C)(CC)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000159364427 542148575 /nfs/dbraw/zinc/14/85/75/542148575.db2.gz AEQVODZTDMJPCK-CQSZACIVSA-N 1 1 268.445 3.049 20 70 CGIDMO CCCn1nccc1CNCCC[N@@H+](C)C1CCCCC1 ZINC000160105326 542153330 /nfs/dbraw/zinc/15/33/30/542153330.db2.gz BMHQKBXPLRAAJZ-UHFFFAOYSA-N 1 1 292.471 3.037 20 70 CGIDMO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCc2ccc(OC)cc21 ZINC000160081579 392580786 /nfs/dbraw/zinc/58/07/86/392580786.db2.gz JQTRLPFRENKPSM-SUMWQHHRSA-N 1 1 276.424 3.002 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCc2ccc(OC)cc21 ZINC000160081579 392580793 /nfs/dbraw/zinc/58/07/93/392580793.db2.gz JQTRLPFRENKPSM-SUMWQHHRSA-N 1 1 276.424 3.002 20 70 CGIDMO CS[C@@H]1CCCC[N@H+](CCCN2CCCCC2)C1 ZINC000161445229 392585063 /nfs/dbraw/zinc/58/50/63/392585063.db2.gz LVHDGAZKXHHZLL-OAHLLOKOSA-N 1 1 270.486 3.080 20 70 CGIDMO CS[C@@H]1CCCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161445229 392585068 /nfs/dbraw/zinc/58/50/68/392585068.db2.gz LVHDGAZKXHHZLL-OAHLLOKOSA-N 1 1 270.486 3.080 20 70 CGIDMO CCC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)C(C)C ZINC000161053628 276038325 /nfs/dbraw/zinc/03/83/25/276038325.db2.gz SSPNIMNGDIQESP-UONOGXRCSA-N 1 1 280.412 3.071 20 70 CGIDMO COc1ccc(C)cc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217677649 295109746 /nfs/dbraw/zinc/10/97/46/295109746.db2.gz LPIUWFRFLIXYKC-UAGQMJEPSA-N 1 1 288.435 3.281 20 70 CGIDMO COc1ncccc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160891317 525061645 /nfs/dbraw/zinc/06/16/45/525061645.db2.gz PMKNESFMFUPCKP-UHFFFAOYSA-N 1 1 280.730 3.173 20 70 CGIDMO Fc1cc(Cl)cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000160969777 526300833 /nfs/dbraw/zinc/30/08/33/526300833.db2.gz QCXWSTHHNPPGKM-HUUCEWRRSA-N 1 1 282.790 3.196 20 70 CGIDMO c1oc2ccccc2c1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000161076059 526627700 /nfs/dbraw/zinc/62/77/00/526627700.db2.gz NVGGOEVAHMHQGO-HZPDHXFCSA-N 1 1 270.376 3.149 20 70 CGIDMO c1oc2ccccc2c1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000161076059 526627703 /nfs/dbraw/zinc/62/77/03/526627703.db2.gz NVGGOEVAHMHQGO-HZPDHXFCSA-N 1 1 270.376 3.149 20 70 CGIDMO C[N@@H+]1CCC[C@@H]1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160982964 530057791 /nfs/dbraw/zinc/05/77/91/530057791.db2.gz GPBQNRVHKFDGEB-LLVKDONJSA-N 1 1 290.304 3.028 20 70 CGIDMO C[N@H+]1CCC[C@@H]1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000160982964 530057792 /nfs/dbraw/zinc/05/77/92/530057792.db2.gz GPBQNRVHKFDGEB-LLVKDONJSA-N 1 1 290.304 3.028 20 70 CGIDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc(Cl)cc2F)C1 ZINC000160789237 346172164 /nfs/dbraw/zinc/17/21/64/346172164.db2.gz HMPWKSGEPQQEEE-GFCCVEGCSA-N 1 1 284.806 3.299 20 70 CGIDMO COc1cccc(CCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000159429447 372142577 /nfs/dbraw/zinc/14/25/77/372142577.db2.gz UEGOPLZXMGZRKD-MRXNPFEDSA-N 1 1 299.418 3.231 20 70 CGIDMO COc1cccc(CCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000159429447 372142581 /nfs/dbraw/zinc/14/25/81/372142581.db2.gz UEGOPLZXMGZRKD-MRXNPFEDSA-N 1 1 299.418 3.231 20 70 CGIDMO COc1cccc(CCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000159429447 372142584 /nfs/dbraw/zinc/14/25/84/372142584.db2.gz UEGOPLZXMGZRKD-MRXNPFEDSA-N 1 1 299.418 3.231 20 70 CGIDMO CC[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)OC ZINC000159509880 372150717 /nfs/dbraw/zinc/15/07/17/372150717.db2.gz IDDJNFOCUFLVJJ-HNNXBMFYSA-N 1 1 276.380 3.040 20 70 CGIDMO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159532994 372152681 /nfs/dbraw/zinc/15/26/81/372152681.db2.gz NSQWOKIPXBAADP-NWDGAFQWSA-N 1 1 298.377 3.310 20 70 CGIDMO C[N@@H+](CCc1c(F)cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159590524 372158776 /nfs/dbraw/zinc/15/87/76/372158776.db2.gz NAMGFTUIAMHPBJ-NHYWBVRUSA-N 1 1 285.790 3.114 20 70 CGIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625283 372162339 /nfs/dbraw/zinc/16/23/39/372162339.db2.gz PVCSZNWGISSBTD-VXGBXAGGSA-N 1 1 294.464 3.131 20 70 CGIDMO CCCCc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159706207 372172112 /nfs/dbraw/zinc/17/21/12/372172112.db2.gz AGIWFFOQCZHCMV-STQMWFEESA-N 1 1 263.385 3.177 20 70 CGIDMO CCCCc1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159706207 372172120 /nfs/dbraw/zinc/17/21/20/372172120.db2.gz AGIWFFOQCZHCMV-STQMWFEESA-N 1 1 263.385 3.177 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCN2CCCCC2)n1 ZINC000159780680 372179341 /nfs/dbraw/zinc/17/93/41/372179341.db2.gz ZXEFXRXHBXVUKJ-KRWDZBQOSA-N 1 1 273.424 3.013 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCN2CCCCC2)n1 ZINC000159780680 372179346 /nfs/dbraw/zinc/17/93/46/372179346.db2.gz ZXEFXRXHBXVUKJ-KRWDZBQOSA-N 1 1 273.424 3.013 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCOc2ccccc21 ZINC000160124085 372215867 /nfs/dbraw/zinc/21/58/67/372215867.db2.gz AJACHZJGYRVYPG-GOEBONIOSA-N 1 1 276.424 3.220 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000160124085 372215872 /nfs/dbraw/zinc/21/58/72/372215872.db2.gz AJACHZJGYRVYPG-GOEBONIOSA-N 1 1 276.424 3.220 20 70 CGIDMO CCCC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000160220107 372225633 /nfs/dbraw/zinc/22/56/33/372225633.db2.gz VYHUDTZGMQJHGM-MRXNPFEDSA-N 1 1 280.456 3.195 20 70 CGIDMO Cc1cnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000160231064 372227562 /nfs/dbraw/zinc/22/75/62/372227562.db2.gz NUJNPPSSSDNWSE-YOEHRIQHSA-N 1 1 296.418 3.026 20 70 CGIDMO CC[C@@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)Oc1ccccc1F ZINC000160305001 372235241 /nfs/dbraw/zinc/23/52/41/372235241.db2.gz DBPAPNUZBTXZBM-ILXRZTDVSA-N 1 1 294.414 3.055 20 70 CGIDMO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000160993838 372292690 /nfs/dbraw/zinc/29/26/90/372292690.db2.gz ONJCYUYVXKMEFD-ZDUSSCGKSA-N 1 1 286.375 3.122 20 70 CGIDMO CC[C@H](C)C[N@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000160590935 372261407 /nfs/dbraw/zinc/26/14/07/372261407.db2.gz ZCSNYNJPVMQBMQ-NSHDSACASA-N 1 1 292.423 3.385 20 70 CGIDMO CC[C@H](C)C[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000160590935 372261409 /nfs/dbraw/zinc/26/14/09/372261409.db2.gz ZCSNYNJPVMQBMQ-NSHDSACASA-N 1 1 292.423 3.385 20 70 CGIDMO Cn1ccc(C[N@@H+](C)Cc2ccc(Br)cc2)c1 ZINC000160799005 372277424 /nfs/dbraw/zinc/27/74/24/372277424.db2.gz NLOWKMYZCIZHKI-UHFFFAOYSA-N 1 1 293.208 3.420 20 70 CGIDMO Fc1cc(Cl)cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000161138252 372304288 /nfs/dbraw/zinc/30/42/88/372304288.db2.gz KHYBAZMFKJPFDC-INIZCTEOSA-N 1 1 296.817 3.443 20 70 CGIDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(OC(F)F)cc1 ZINC000161134803 372303653 /nfs/dbraw/zinc/30/36/53/372303653.db2.gz DHNPGWZOGJWESZ-UHFFFAOYSA-N 1 1 295.333 3.044 20 70 CGIDMO FC(F)(F)c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc1 ZINC000217360026 376172344 /nfs/dbraw/zinc/17/23/44/376172344.db2.gz BIVVMANDXILWOB-RYUDHWBXSA-N 1 1 285.313 3.139 20 70 CGIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658295 376176292 /nfs/dbraw/zinc/17/62/92/376176292.db2.gz XWSBBBUZGYGNSM-XZJROXQQSA-N 1 1 280.362 3.242 20 70 CGIDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658295 376176297 /nfs/dbraw/zinc/17/62/97/376176297.db2.gz XWSBBBUZGYGNSM-XZJROXQQSA-N 1 1 280.362 3.242 20 70 CGIDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696461 278274619 /nfs/dbraw/zinc/27/46/19/278274619.db2.gz AUDJPNAJVXHOJZ-MAZHCROVSA-N 1 1 262.372 3.103 20 70 CGIDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696461 278274621 /nfs/dbraw/zinc/27/46/21/278274621.db2.gz AUDJPNAJVXHOJZ-MAZHCROVSA-N 1 1 262.372 3.103 20 70 CGIDMO CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160764417 521473343 /nfs/dbraw/zinc/47/33/43/521473343.db2.gz DCBOZLNVZHHXPC-PBWFPOADSA-N 1 1 282.428 3.259 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000160111806 529344019 /nfs/dbraw/zinc/34/40/19/529344019.db2.gz AQSLFMFPYNQDBF-NEPJUHHUSA-N 1 1 270.367 3.346 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000160111806 529344020 /nfs/dbraw/zinc/34/40/20/529344020.db2.gz AQSLFMFPYNQDBF-NEPJUHHUSA-N 1 1 270.367 3.346 20 70 CGIDMO CC(=O)c1ccccc1OCCn1c[nH+]c2c1CCCC2 ZINC000216717669 572358302 /nfs/dbraw/zinc/35/83/02/572358302.db2.gz XVFKZBDQRFTSCU-UHFFFAOYSA-N 1 1 284.359 3.044 20 70 CGIDMO C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC(F)F)cc1 ZINC000160625511 529984455 /nfs/dbraw/zinc/98/44/55/529984455.db2.gz FLIRIZHGGTVFOE-UHFFFAOYSA-N 1 1 297.301 3.005 20 70 CGIDMO CCOCCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159366125 372135751 /nfs/dbraw/zinc/13/57/51/372135751.db2.gz IIACLUWEBSKXDM-NSHDSACASA-N 1 1 257.324 3.384 20 70 CGIDMO Cc1[nH+]ccn1CCCCNc1nc(C(C)(C)C)ns1 ZINC000159631250 372162887 /nfs/dbraw/zinc/16/28/87/372162887.db2.gz NQPKXCGCNATYLZ-UHFFFAOYSA-N 1 1 293.440 3.233 20 70 CGIDMO Cc1cccc([C@H]2CCC[N@H+]2CCc2ccccn2)n1 ZINC000159752223 372175214 /nfs/dbraw/zinc/17/52/14/372175214.db2.gz RDRUIIGUJSAPPH-QGZVFWFLSA-N 1 1 267.376 3.165 20 70 CGIDMO C[N@H+](Cc1ccc(Cl)c2cccnc12)[C@H](CN)C1CC1 ZINC000159765372 372178675 /nfs/dbraw/zinc/17/86/75/372178675.db2.gz QMQRBXKWSLPQLV-OAHLLOKOSA-N 1 1 289.810 3.057 20 70 CGIDMO C[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@H](CN)C1CC1 ZINC000159765372 372178681 /nfs/dbraw/zinc/17/86/81/372178681.db2.gz QMQRBXKWSLPQLV-OAHLLOKOSA-N 1 1 289.810 3.057 20 70 CGIDMO c1cn(CC[N@H+]2CCC[C@@H]2CC2CCCCC2)cn1 ZINC000159784570 372179371 /nfs/dbraw/zinc/17/93/71/372179371.db2.gz WJLZRXSJMPTMGB-MRXNPFEDSA-N 1 1 261.413 3.318 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000160075125 372210639 /nfs/dbraw/zinc/21/06/39/372210639.db2.gz DFWVKTFKALBEPO-CZUORRHYSA-N 1 1 294.414 3.359 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000160075125 372210644 /nfs/dbraw/zinc/21/06/44/372210644.db2.gz DFWVKTFKALBEPO-CZUORRHYSA-N 1 1 294.414 3.359 20 70 CGIDMO Cc1ccc(C(=O)CC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000160149613 372218006 /nfs/dbraw/zinc/21/80/06/372218006.db2.gz GBTUYSCNNKSHHQ-UHFFFAOYSA-N 1 1 257.377 3.444 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)[nH]1 ZINC000160301466 372235047 /nfs/dbraw/zinc/23/50/47/372235047.db2.gz WYSKUYXHDBORLN-GFCCVEGCSA-N 1 1 288.395 3.005 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCCO2)n1 ZINC000159826901 372185437 /nfs/dbraw/zinc/18/54/37/372185437.db2.gz GWOKRMQJMBYQOW-HOCLYGCPSA-N 1 1 260.381 3.096 20 70 CGIDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159925199 372194161 /nfs/dbraw/zinc/19/41/61/372194161.db2.gz ZQGRWDCQBJRXKG-LSDHHAIUSA-N 1 1 294.483 3.392 20 70 CGIDMO CCC[N@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159962970 372198057 /nfs/dbraw/zinc/19/80/57/372198057.db2.gz SJJQAJIYHLSRRF-OAHLLOKOSA-N 1 1 297.402 3.321 20 70 CGIDMO CCC[N@@H+](Cc1ccncc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159962970 372198064 /nfs/dbraw/zinc/19/80/64/372198064.db2.gz SJJQAJIYHLSRRF-OAHLLOKOSA-N 1 1 297.402 3.321 20 70 CGIDMO CC1(C)C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C(C)(C)O1 ZINC000160501624 372251250 /nfs/dbraw/zinc/25/12/50/372251250.db2.gz UXXJIMATUKJVHR-MRXNPFEDSA-N 1 1 294.483 3.329 20 70 CGIDMO CCC[N@@H+](Cc1ccnn1CC)Cc1ccccc1 ZINC000160477735 372251846 /nfs/dbraw/zinc/25/18/46/372251846.db2.gz VTJBJSWILANYIZ-UHFFFAOYSA-N 1 1 257.381 3.315 20 70 CGIDMO CCC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000160481354 372252141 /nfs/dbraw/zinc/25/21/41/372252141.db2.gz LIAMLGNVRPCFKA-UHFFFAOYSA-N 1 1 288.416 3.259 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2)C(C)C)n1 ZINC000160605877 372261398 /nfs/dbraw/zinc/26/13/98/372261398.db2.gz RKSIUSGSLLHAKM-UHFFFAOYSA-N 1 1 285.391 3.155 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccccc2)C(C)C)n1 ZINC000160605877 372261400 /nfs/dbraw/zinc/26/14/00/372261400.db2.gz RKSIUSGSLLHAKM-UHFFFAOYSA-N 1 1 285.391 3.155 20 70 CGIDMO CN(Cc1coc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161110927 372302097 /nfs/dbraw/zinc/30/20/97/372302097.db2.gz HIOKFEGBCBOFJO-YIONKMFJSA-N 1 1 270.376 3.148 20 70 CGIDMO CCC[N@@H+](CCO)Cc1cnc(C2CCCC2)s1 ZINC000161205082 372310006 /nfs/dbraw/zinc/31/00/06/372310006.db2.gz LZACTOGXFMJBAG-UHFFFAOYSA-N 1 1 268.426 3.005 20 70 CGIDMO CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](C[NH2+]C)C1 ZINC000218071662 376182625 /nfs/dbraw/zinc/18/26/25/376182625.db2.gz HWKGKIDXXLGJQM-BBRMVZONSA-N 1 1 264.388 3.208 20 70 CGIDMO Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000218044665 376183189 /nfs/dbraw/zinc/18/31/89/376183189.db2.gz IOAPMOAVHXIKIV-IRXDYDNUSA-N 1 1 258.409 3.020 20 70 CGIDMO Cc1cccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1C ZINC000218044665 376183199 /nfs/dbraw/zinc/18/31/99/376183199.db2.gz IOAPMOAVHXIKIV-IRXDYDNUSA-N 1 1 258.409 3.020 20 70 CGIDMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC000218312442 376186896 /nfs/dbraw/zinc/18/68/96/376186896.db2.gz IUSSXZDJLOZZNJ-UHFFFAOYSA-N 1 1 293.769 3.474 20 70 CGIDMO O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000218761089 270085385 /nfs/dbraw/zinc/08/53/85/270085385.db2.gz MPLJGKQPUZBUGA-KSZLIROESA-N 1 1 273.420 3.245 20 70 CGIDMO c1ccc([C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000161299949 275068058 /nfs/dbraw/zinc/06/80/58/275068058.db2.gz SMXZMWIAQGVZNB-GOSISDBHSA-N 1 1 272.436 3.352 20 70 CGIDMO c1ccc([C@@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000161299949 275068060 /nfs/dbraw/zinc/06/80/60/275068060.db2.gz SMXZMWIAQGVZNB-GOSISDBHSA-N 1 1 272.436 3.352 20 70 CGIDMO Cc1nc2c(s1)[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161103058 282036033 /nfs/dbraw/zinc/03/60/33/282036033.db2.gz JFIRFARKVNFTQW-IPYPFGDCSA-N 1 1 293.480 3.291 20 70 CGIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000161208793 521602602 /nfs/dbraw/zinc/60/26/02/521602602.db2.gz QTNBVCQJUDQTBQ-KBPBESRZSA-N 1 1 250.386 3.113 20 70 CGIDMO CCCO[C@@H]1CCC[N@H+](CCCN2CCCCC2)CC1 ZINC000161026237 520272419 /nfs/dbraw/zinc/27/24/19/520272419.db2.gz GGUDAFMBVBCIMV-QGZVFWFLSA-N 1 1 282.472 3.144 20 70 CGIDMO CCCO[C@@H]1CCC[N@@H+](CCCN2CCCCC2)CC1 ZINC000161026237 520272425 /nfs/dbraw/zinc/27/24/25/520272425.db2.gz GGUDAFMBVBCIMV-QGZVFWFLSA-N 1 1 282.472 3.144 20 70 CGIDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000161208793 521602598 /nfs/dbraw/zinc/60/25/98/521602598.db2.gz QTNBVCQJUDQTBQ-KBPBESRZSA-N 1 1 250.386 3.113 20 70 CGIDMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000161268164 523664043 /nfs/dbraw/zinc/66/40/43/523664043.db2.gz XLEPPQLKAQLLCZ-IAGOWNOFSA-N 1 1 276.424 3.051 20 70 CGIDMO C[C@@H](NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000160876409 525472051 /nfs/dbraw/zinc/47/20/51/525472051.db2.gz LCEKSWFGMVROKQ-HUUCEWRRSA-N 1 1 272.392 3.451 20 70 CGIDMO C[C@@H](NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000160876409 525472055 /nfs/dbraw/zinc/47/20/55/525472055.db2.gz LCEKSWFGMVROKQ-HUUCEWRRSA-N 1 1 272.392 3.451 20 70 CGIDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000217665795 572869201 /nfs/dbraw/zinc/86/92/01/572869201.db2.gz LMPHKVODNGAGTR-AWEZNQCLSA-N 1 1 286.419 3.378 20 70 CGIDMO CCC[N@@H+](CCO)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000161202539 572883265 /nfs/dbraw/zinc/88/32/65/572883265.db2.gz CVECJWWLDXNOQZ-CQSZACIVSA-N 1 1 295.423 3.077 20 70 CGIDMO Cc1nc2ccccn2c1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000161442922 282089480 /nfs/dbraw/zinc/08/94/80/282089480.db2.gz POIUEOFCZRKTBL-CYBMUJFWSA-N 1 1 257.381 3.263 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000160633713 529566316 /nfs/dbraw/zinc/56/63/16/529566316.db2.gz XNZINYRZSAFGQW-HNNXBMFYSA-N 1 1 283.375 3.082 20 70 CGIDMO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000160633713 529566320 /nfs/dbraw/zinc/56/63/20/529566320.db2.gz XNZINYRZSAFGQW-HNNXBMFYSA-N 1 1 283.375 3.082 20 70 CGIDMO OC[C@H]1CCCC[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000159800154 346168414 /nfs/dbraw/zinc/16/84/14/346168414.db2.gz RGRYNLCAWFMMLY-CQSZACIVSA-N 1 1 280.437 3.148 20 70 CGIDMO OC[C@H]1CCCC[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000159800154 346168417 /nfs/dbraw/zinc/16/84/17/346168417.db2.gz RGRYNLCAWFMMLY-CQSZACIVSA-N 1 1 280.437 3.148 20 70 CGIDMO CCSCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159702282 372172157 /nfs/dbraw/zinc/17/21/57/372172157.db2.gz QUMWNHQBQRZZNX-AWEZNQCLSA-N 1 1 250.411 3.280 20 70 CGIDMO CCOC(=O)C[N@H+](Cc1ccc(OC)cc1)C1CCCC1 ZINC000159775832 372178270 /nfs/dbraw/zinc/17/82/70/372178270.db2.gz SBKLOSIBCNYOBO-UHFFFAOYSA-N 1 1 291.391 3.003 20 70 CGIDMO CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1)C1CCCC1 ZINC000159775832 372178279 /nfs/dbraw/zinc/17/82/79/372178279.db2.gz SBKLOSIBCNYOBO-UHFFFAOYSA-N 1 1 291.391 3.003 20 70 CGIDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C)cn2)CC1 ZINC000160109105 372214052 /nfs/dbraw/zinc/21/40/52/372214052.db2.gz IZIYMOOVEYFCII-INIZCTEOSA-N 1 1 262.397 3.171 20 70 CGIDMO CC[C@]1(C)C[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000160166085 372220460 /nfs/dbraw/zinc/22/04/60/372220460.db2.gz NBCCMSJCMOHLHE-FUHWJXTLSA-N 1 1 288.435 3.061 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](C)c2cccc3ccccc32)[nH]1 ZINC000160272604 372232525 /nfs/dbraw/zinc/23/25/25/372232525.db2.gz XWXGZKUGVMCHAH-LBPRGKRZSA-N 1 1 280.375 3.371 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000160342088 372239040 /nfs/dbraw/zinc/23/90/40/372239040.db2.gz ZLCJJCCPAPGUET-CYBMUJFWSA-N 1 1 273.380 3.400 20 70 CGIDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCn1ccnc1 ZINC000159836418 372184780 /nfs/dbraw/zinc/18/47/80/372184780.db2.gz QZRULECNEIFAHU-CYBMUJFWSA-N 1 1 277.799 3.100 20 70 CGIDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(COC)cc1 ZINC000160443725 372247387 /nfs/dbraw/zinc/24/73/87/372247387.db2.gz QPDHFSRTAAHTHL-UHFFFAOYSA-N 1 1 299.414 3.482 20 70 CGIDMO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2C)o1 ZINC000160528453 372256100 /nfs/dbraw/zinc/25/61/00/372256100.db2.gz DLUJWKSOCBSGQX-UHFFFAOYSA-N 1 1 287.359 3.397 20 70 CGIDMO FC(F)(F)COCCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160557282 372257510 /nfs/dbraw/zinc/25/75/10/372257510.db2.gz VTSBNIBCBQANEQ-RYUDHWBXSA-N 1 1 265.319 3.220 20 70 CGIDMO COc1cc(C[N@H+](C)Cc2ccc(C)o2)cc(OC)c1 ZINC000160856956 372283494 /nfs/dbraw/zinc/28/34/94/372283494.db2.gz DTEDSFPPVYJHAN-UHFFFAOYSA-N 1 1 275.348 3.237 20 70 CGIDMO COc1cc(C[N@@H+](C)Cc2ccc(C)o2)cc(OC)c1 ZINC000160856956 372283502 /nfs/dbraw/zinc/28/35/02/372283502.db2.gz DTEDSFPPVYJHAN-UHFFFAOYSA-N 1 1 275.348 3.237 20 70 CGIDMO CCC[C@@H]1CCC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC000161222665 372311205 /nfs/dbraw/zinc/31/12/05/372311205.db2.gz GVHPTRHNZVHFFQ-CQSZACIVSA-N 1 1 264.417 3.009 20 70 CGIDMO CCC[C@@H]1CCC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC000161222665 372311207 /nfs/dbraw/zinc/31/12/07/372311207.db2.gz GVHPTRHNZVHFFQ-CQSZACIVSA-N 1 1 264.417 3.009 20 70 CGIDMO CSc1ccc([C@H](C)NC2CC[NH+](C)CC2)cc1F ZINC000161455951 372325752 /nfs/dbraw/zinc/32/57/52/372325752.db2.gz BQYFXAGRPURUCV-NSHDSACASA-N 1 1 282.428 3.292 20 70 CGIDMO CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](C[NH2+]C)C1 ZINC000218071584 376183282 /nfs/dbraw/zinc/18/32/82/376183282.db2.gz HWKGKIDXXLGJQM-XJKSGUPXSA-N 1 1 264.388 3.208 20 70 CGIDMO COC(C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1)OC ZINC000161234600 292079073 /nfs/dbraw/zinc/07/90/73/292079073.db2.gz YGPWPIVKVVBLCB-OAHLLOKOSA-N 1 1 263.381 3.141 20 70 CGIDMO CC[C@H](C)[N@H+](C)CCNCc1cc(C)c(C)cc1C ZINC000217373819 270085253 /nfs/dbraw/zinc/08/52/53/270085253.db2.gz JAAZZRDRYJLEAO-INIZCTEOSA-N 1 1 262.441 3.432 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNCc1cc(C)c(C)cc1C ZINC000217373819 270085254 /nfs/dbraw/zinc/08/52/54/270085254.db2.gz JAAZZRDRYJLEAO-INIZCTEOSA-N 1 1 262.441 3.432 20 70 CGIDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000218689061 270085450 /nfs/dbraw/zinc/08/54/50/270085450.db2.gz DKNODIFYNXGCHE-KRWDZBQOSA-N 1 1 289.806 3.375 20 70 CGIDMO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000159509118 321836019 /nfs/dbraw/zinc/83/60/19/321836019.db2.gz MPRBZGALQJZQAV-RYUDHWBXSA-N 1 1 298.377 3.166 20 70 CGIDMO CC(C)[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000160718304 519821078 /nfs/dbraw/zinc/82/10/78/519821078.db2.gz SDQHCJFGVXDDEJ-SFHVURJKSA-N 1 1 298.434 3.491 20 70 CGIDMO CCC[C@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)CCO1 ZINC000161137889 521219380 /nfs/dbraw/zinc/21/93/80/521219380.db2.gz UANORPJCWVXJML-INIZCTEOSA-N 1 1 275.392 3.069 20 70 CGIDMO CCC[C@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)CCO1 ZINC000161137889 521219391 /nfs/dbraw/zinc/21/93/91/521219391.db2.gz UANORPJCWVXJML-INIZCTEOSA-N 1 1 275.392 3.069 20 70 CGIDMO COc1cc(C)[nH+]c(Cn2cnc3cc(F)c(F)cc32)c1 ZINC000160973900 522295173 /nfs/dbraw/zinc/29/51/73/522295173.db2.gz PDLQFFIEZACBBB-UHFFFAOYSA-N 1 1 289.285 3.075 20 70 CGIDMO C[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1cccc(F)c1 ZINC000160468689 523160757 /nfs/dbraw/zinc/16/07/57/523160757.db2.gz VGMIHQAOJRBSDX-UHFFFAOYSA-N 1 1 296.349 3.243 20 70 CGIDMO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112544 525336911 /nfs/dbraw/zinc/33/69/11/525336911.db2.gz RSAOBSSNCRNSLX-BPUTZDHNSA-N 1 1 276.424 3.219 20 70 CGIDMO CC(C)C[C@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000160755699 528590209 /nfs/dbraw/zinc/59/02/09/528590209.db2.gz JPBOISHRPIXFKU-MRXNPFEDSA-N 1 1 252.446 3.373 20 70 CGIDMO CC(C)C[C@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000160755699 528590214 /nfs/dbraw/zinc/59/02/14/528590214.db2.gz JPBOISHRPIXFKU-MRXNPFEDSA-N 1 1 252.446 3.373 20 70 CGIDMO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCc2ccc(OC)cc21 ZINC000160081486 529343587 /nfs/dbraw/zinc/34/35/87/529343587.db2.gz JQTRLPFRENKPSM-CXAGYDPISA-N 1 1 276.424 3.002 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCc2ccc(OC)cc21 ZINC000160081486 529343592 /nfs/dbraw/zinc/34/35/92/529343592.db2.gz JQTRLPFRENKPSM-CXAGYDPISA-N 1 1 276.424 3.002 20 70 CGIDMO C[NH+](C)[C@H]1CCC[C@@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003235 282258322 /nfs/dbraw/zinc/25/83/22/282258322.db2.gz VXGODTAGULUNAT-HLLBOEOZSA-N 1 1 276.399 3.275 20 70 CGIDMO CC[C@H]1C[N@H+](CCC(=O)c2ccc(C)cc2)C[C@H](C)O1 ZINC000159616703 372161804 /nfs/dbraw/zinc/16/18/04/372161804.db2.gz YEOCRTAJVNQKJP-HOCLYGCPSA-N 1 1 275.392 3.067 20 70 CGIDMO CC[C@H]1C[N@@H+](CCC(=O)c2ccc(C)cc2)C[C@H](C)O1 ZINC000159616703 372161811 /nfs/dbraw/zinc/16/18/11/372161811.db2.gz YEOCRTAJVNQKJP-HOCLYGCPSA-N 1 1 275.392 3.067 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2cnc3ccccn23)s1 ZINC000159677277 372168377 /nfs/dbraw/zinc/16/83/77/372168377.db2.gz XOJAPNHAIRQDIL-UHFFFAOYSA-N 1 1 271.389 3.336 20 70 CGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767922 372177374 /nfs/dbraw/zinc/17/73/74/372177374.db2.gz PBYQQYMIKQOYOK-JKIFEVAISA-N 1 1 278.415 3.077 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000160094836 372212916 /nfs/dbraw/zinc/21/29/16/372212916.db2.gz RIJRMVUQWGXSCQ-MNOVXSKESA-N 1 1 288.357 3.485 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000160094836 372212920 /nfs/dbraw/zinc/21/29/20/372212920.db2.gz RIJRMVUQWGXSCQ-MNOVXSKESA-N 1 1 288.357 3.485 20 70 CGIDMO CCOCCC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000160194836 372224336 /nfs/dbraw/zinc/22/43/36/372224336.db2.gz HARXFPDITLQHRS-UHFFFAOYSA-N 1 1 265.397 3.170 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000159858370 372186721 /nfs/dbraw/zinc/18/67/21/372186721.db2.gz DKZYCOOHRDLWNM-UHFFFAOYSA-N 1 1 298.386 3.286 20 70 CGIDMO C[C@H]1C[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@H+]1C ZINC000160658636 372267001 /nfs/dbraw/zinc/26/70/01/372267001.db2.gz MUSNNEZPNJRIOZ-ZFWWWQNUSA-N 1 1 280.456 3.144 20 70 CGIDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(-c2ccccc2)no1 ZINC000161109503 372301991 /nfs/dbraw/zinc/30/19/91/372301991.db2.gz DZJXFHHZGYWCQU-UHFFFAOYSA-N 1 1 296.374 3.097 20 70 CGIDMO CC[N@H+](Cc1cnn(C)c1)Cc1cc(-c2ccccc2)no1 ZINC000161109503 372301995 /nfs/dbraw/zinc/30/19/95/372301995.db2.gz DZJXFHHZGYWCQU-UHFFFAOYSA-N 1 1 296.374 3.097 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1OC ZINC000160826598 372279498 /nfs/dbraw/zinc/27/94/98/372279498.db2.gz NCBZDALXQVWCFP-UHFFFAOYSA-N 1 1 275.348 3.237 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2ccc(-n3cncn3)c(C)c2)o1 ZINC000160844591 372281538 /nfs/dbraw/zinc/28/15/38/372281538.db2.gz DFVOIKZRIMTUJL-UHFFFAOYSA-N 1 1 296.374 3.109 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2cccnc2)o1 ZINC000160870023 372284087 /nfs/dbraw/zinc/28/40/87/372284087.db2.gz AXKNBZGTDMHEAU-UHFFFAOYSA-N 1 1 282.347 3.005 20 70 CGIDMO COc1ccc(C[N@@H+](C)Cc2cccn2C)cc1Cl ZINC000161246048 372313221 /nfs/dbraw/zinc/31/32/21/372313221.db2.gz SHGGPNVGJRDWFP-UHFFFAOYSA-N 1 1 278.783 3.319 20 70 CGIDMO C[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC[C@@H]1C ZINC000161331064 372318272 /nfs/dbraw/zinc/31/82/72/372318272.db2.gz KHANVLGMHHHDBR-GJZGRUSLSA-N 1 1 294.483 3.249 20 70 CGIDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cncnc1 ZINC000159670871 542150257 /nfs/dbraw/zinc/15/02/57/542150257.db2.gz IQPZTCBDZDSULH-AWEZNQCLSA-N 1 1 267.376 3.277 20 70 CGIDMO C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cnccn1 ZINC000161279720 274262979 /nfs/dbraw/zinc/26/29/79/274262979.db2.gz YCLLNLXLOUJZHN-MFKMUULPSA-N 1 1 289.766 3.304 20 70 CGIDMO CCC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)C(C)C ZINC000161053752 278855668 /nfs/dbraw/zinc/85/56/68/278855668.db2.gz SSPNIMNGDIQESP-ZIAGYGMSSA-N 1 1 280.412 3.071 20 70 CGIDMO C[N@@H+](CC1CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160390212 522626587 /nfs/dbraw/zinc/62/65/87/522626587.db2.gz QKLZOVVDJJYUQC-YIONKMFJSA-N 1 1 294.439 3.259 20 70 CGIDMO CC[C@@]1(C)CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160865141 523709566 /nfs/dbraw/zinc/70/95/66/523709566.db2.gz AGSNQMDWIPYCMN-INIZCTEOSA-N 1 1 257.381 3.346 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(OC)ccc1OC ZINC000160066445 529689433 /nfs/dbraw/zinc/68/94/33/529689433.db2.gz SDCMAFMOIBQSFA-KBPBESRZSA-N 1 1 294.439 3.085 20 70 CGIDMO CN(C)C1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCCC1 ZINC000160976277 232247644 /nfs/dbraw/zinc/24/76/44/232247644.db2.gz XLKQNFPDPKIXBS-UHFFFAOYSA-N 1 1 284.806 3.443 20 70 CGIDMO CCc1nnc(C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)[nH]1 ZINC000160483844 346170687 /nfs/dbraw/zinc/17/06/87/346170687.db2.gz VWXWUAJGKADUPZ-HNNXBMFYSA-N 1 1 290.386 3.383 20 70 CGIDMO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC(C)(C)C ZINC000217767331 346291986 /nfs/dbraw/zinc/29/19/86/346291986.db2.gz LTNWJFLBBZHRBI-XQHKEYJVSA-N 1 1 255.402 3.131 20 70 CGIDMO CCCn1nc(C)c(C[N@H+](C)Cc2ccc(C)o2)c1C ZINC000160844006 188494563 /nfs/dbraw/zinc/49/45/63/188494563.db2.gz VKHQDLSQBULRSH-UHFFFAOYSA-N 1 1 275.396 3.443 20 70 CGIDMO CCCn1nc(C)c(C[N@@H+](C)Cc2ccc(C)o2)c1C ZINC000160844006 188494564 /nfs/dbraw/zinc/49/45/64/188494564.db2.gz VKHQDLSQBULRSH-UHFFFAOYSA-N 1 1 275.396 3.443 20 70 CGIDMO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159533834 372151868 /nfs/dbraw/zinc/15/18/68/372151868.db2.gz JVFHLQNGMMCJHH-GHMZBOCLSA-N 1 1 298.377 3.309 20 70 CGIDMO CCCOc1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000159735471 372173940 /nfs/dbraw/zinc/17/39/40/372173940.db2.gz LMXAQRBQJADNBI-INIZCTEOSA-N 1 1 277.408 3.212 20 70 CGIDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767666 372177669 /nfs/dbraw/zinc/17/76/69/372177669.db2.gz PBYQQYMIKQOYOK-KEYYUXOJSA-N 1 1 278.415 3.077 20 70 CGIDMO CC(C)CCc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159766939 372178000 /nfs/dbraw/zinc/17/80/00/372178000.db2.gz ZRYXSXCWRVETGR-ZFWWWQNUSA-N 1 1 296.480 3.325 20 70 CGIDMO CC(C)CCc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cs1 ZINC000159766939 372178006 /nfs/dbraw/zinc/17/80/06/372178006.db2.gz ZRYXSXCWRVETGR-ZFWWWQNUSA-N 1 1 296.480 3.325 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000160058094 372208292 /nfs/dbraw/zinc/20/82/92/372208292.db2.gz FCKZGJBVFZNBEW-KBPBESRZSA-N 1 1 291.439 3.026 20 70 CGIDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000160058094 372208299 /nfs/dbraw/zinc/20/82/99/372208299.db2.gz FCKZGJBVFZNBEW-KBPBESRZSA-N 1 1 291.439 3.026 20 70 CGIDMO CCc1nnc(C[NH2+][C@H](CC)c2cccc(Cl)c2)[nH]1 ZINC000160298403 372236112 /nfs/dbraw/zinc/23/61/12/372236112.db2.gz WXBKDFFXFGTLEK-GFCCVEGCSA-N 1 1 278.787 3.261 20 70 CGIDMO CC(C)C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000160328254 372239207 /nfs/dbraw/zinc/23/92/07/372239207.db2.gz LRRYULDKBROLSB-JKSUJKDBSA-N 1 1 280.456 3.288 20 70 CGIDMO c1oc2ccccc2c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159817770 372183212 /nfs/dbraw/zinc/18/32/12/372183212.db2.gz VFKIBPZBDJPGGF-ZDUSSCGKSA-N 1 1 270.376 3.007 20 70 CGIDMO c1oc2ccccc2c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000159817770 372183215 /nfs/dbraw/zinc/18/32/15/372183215.db2.gz VFKIBPZBDJPGGF-ZDUSSCGKSA-N 1 1 270.376 3.007 20 70 CGIDMO CC(C)[N@@H+](CCc1nccs1)CCC(F)(F)F ZINC000159828489 372185386 /nfs/dbraw/zinc/18/53/86/372185386.db2.gz HZMPQMJEZJOXDU-UHFFFAOYSA-N 1 1 266.332 3.348 20 70 CGIDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159908735 372192611 /nfs/dbraw/zinc/19/26/11/372192611.db2.gz ZHHAYXSROZTNHE-KGLIPLIRSA-N 1 1 292.448 3.116 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000159943810 372195751 /nfs/dbraw/zinc/19/57/51/372195751.db2.gz RFIWZJUFGGWZTI-INIZCTEOSA-N 1 1 253.349 3.122 20 70 CGIDMO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161039613 372296240 /nfs/dbraw/zinc/29/62/40/372296240.db2.gz AKTPRSRBKBCNBO-CFVMTHIKSA-N 1 1 294.414 3.358 20 70 CGIDMO Cc1c(C[NH2+]Cc2nc(-c3ccccc3)cs2)cnn1C ZINC000160406701 372243879 /nfs/dbraw/zinc/24/38/79/372243879.db2.gz JQVISMZDVSCDIS-UHFFFAOYSA-N 1 1 298.415 3.142 20 70 CGIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC000160547309 372257595 /nfs/dbraw/zinc/25/75/95/372257595.db2.gz OOCTUUMPRNUSNQ-DZGCQCFKSA-N 1 1 294.464 3.088 20 70 CGIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111339 372302027 /nfs/dbraw/zinc/30/20/27/372302027.db2.gz LWCZMMHXEYBBES-MAZHCROVSA-N 1 1 264.388 3.349 20 70 CGIDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000161168202 372307262 /nfs/dbraw/zinc/30/72/62/372307262.db2.gz ZIFDRQVQUZXBBZ-OAHLLOKOSA-N 1 1 294.483 3.297 20 70 CGIDMO C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000161330958 372317707 /nfs/dbraw/zinc/31/77/07/372317707.db2.gz KHANVLGMHHHDBR-CABCVRRESA-N 1 1 294.483 3.249 20 70 CGIDMO COc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000217908581 376181388 /nfs/dbraw/zinc/18/13/88/376181388.db2.gz AGBJNBBLWXURNR-MISXGVKJSA-N 1 1 282.815 3.489 20 70 CGIDMO FC(F)(F)c1cccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217643934 392993856 /nfs/dbraw/zinc/99/38/56/392993856.db2.gz IZDOPOAWVGNWJP-CABCVRRESA-N 1 1 298.352 3.422 20 70 CGIDMO FC(F)(F)c1cccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000217643934 392993860 /nfs/dbraw/zinc/99/38/60/392993860.db2.gz IZDOPOAWVGNWJP-CABCVRRESA-N 1 1 298.352 3.422 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNc1ncnc2sc(C)c(C)c21 ZINC000217366392 392994980 /nfs/dbraw/zinc/99/49/80/392994980.db2.gz SSZPMYHCQMIXRK-JTQLQIEISA-N 1 1 292.452 3.450 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cccc(OC(C)C)c1 ZINC000217394941 392995031 /nfs/dbraw/zinc/99/50/31/392995031.db2.gz NDOGJNGJDSQRHF-OAHLLOKOSA-N 1 1 278.440 3.294 20 70 CGIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000217394941 392995035 /nfs/dbraw/zinc/99/50/35/392995035.db2.gz NDOGJNGJDSQRHF-OAHLLOKOSA-N 1 1 278.440 3.294 20 70 CGIDMO Cc1cc(C)c2c(c1)[C@@H](NC1CC[NH+](C)CC1)CCCO2 ZINC000161507696 301209333 /nfs/dbraw/zinc/20/93/33/301209333.db2.gz GMOJZGXBYXOOJS-KRWDZBQOSA-N 1 1 288.435 3.201 20 70 CGIDMO Cc1[nH+]c2c(n1CC(=O)c1cc(F)ccc1F)CCCC2 ZINC000216711433 329299548 /nfs/dbraw/zinc/29/95/48/329299548.db2.gz CFPNYHDPXCJPPR-UHFFFAOYSA-N 1 1 290.313 3.231 20 70 CGIDMO COc1ccc([C@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000160896596 525420445 /nfs/dbraw/zinc/42/04/45/525420445.db2.gz NDWPMAZYECRMGJ-INIZCTEOSA-N 1 1 299.418 3.462 20 70 CGIDMO Cc1nccn1CCCC[N@H+](C)CCc1ccccc1 ZINC000161422376 527392067 /nfs/dbraw/zinc/39/20/67/527392067.db2.gz LWMYJIUCSDIIIZ-UHFFFAOYSA-N 1 1 271.408 3.146 20 70 CGIDMO CCSCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000159912819 529179256 /nfs/dbraw/zinc/17/92/56/529179256.db2.gz FYNFJYVAFWJDFO-UHFFFAOYSA-N 1 1 265.422 3.357 20 70 CGIDMO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC(C)(C)C ZINC000217767156 346291610 /nfs/dbraw/zinc/29/16/10/346291610.db2.gz LTNWJFLBBZHRBI-YVECIDJPSA-N 1 1 255.402 3.131 20 70 CGIDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000217937401 346292045 /nfs/dbraw/zinc/29/20/45/346292045.db2.gz VVELMJUFCUENGZ-WMLDXEAASA-N 1 1 286.419 3.271 20 70 CGIDMO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C1 ZINC000159403145 372139054 /nfs/dbraw/zinc/13/90/54/372139054.db2.gz NNUCWVZOGIVNEK-RFBLXINOSA-N 1 1 284.513 3.369 20 70 CGIDMO COc1cccc([C@@H](C)[N@@H+](C)CCOCC2CC2)c1 ZINC000159763097 372178528 /nfs/dbraw/zinc/17/85/28/372178528.db2.gz BXINYBGHCJWFLO-CYBMUJFWSA-N 1 1 263.381 3.115 20 70 CGIDMO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCCO1 ZINC000160272435 372231602 /nfs/dbraw/zinc/23/16/02/372231602.db2.gz LIUYHIXKMYINBI-LBPRGKRZSA-N 1 1 290.338 3.092 20 70 CGIDMO C[N@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCCO1 ZINC000160272435 372231612 /nfs/dbraw/zinc/23/16/12/372231612.db2.gz LIUYHIXKMYINBI-LBPRGKRZSA-N 1 1 290.338 3.092 20 70 CGIDMO COc1cc(C[N@@H+](C)CCOCC2CC2)ccc1SC ZINC000159814275 372182966 /nfs/dbraw/zinc/18/29/66/372182966.db2.gz JLRBERPVLDMHRW-UHFFFAOYSA-N 1 1 295.448 3.276 20 70 CGIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(F)c(SC)c1 ZINC000160501347 372252225 /nfs/dbraw/zinc/25/22/25/372252225.db2.gz NHUKPIXRPFMSNM-NSHDSACASA-N 1 1 298.427 3.008 20 70 CGIDMO Cn1cc[nH+]c1CC1CCN(c2nccc3occc32)CC1 ZINC000160683575 372267940 /nfs/dbraw/zinc/26/79/40/372267940.db2.gz LQDWYQPODAPUQE-UHFFFAOYSA-N 1 1 296.374 3.020 20 70 CGIDMO Cc1ccc(C[N@H+](C)Cc2ccc3c[nH]nc3c2)o1 ZINC000160848372 372281087 /nfs/dbraw/zinc/28/10/87/372281087.db2.gz XAYZTDOYICXVTQ-UHFFFAOYSA-N 1 1 255.321 3.096 20 70 CGIDMO CCn1nccc1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000161158187 372305431 /nfs/dbraw/zinc/30/54/31/372305431.db2.gz YRZFMSRODDYXAM-UHFFFAOYSA-N 1 1 293.798 3.067 20 70 CGIDMO CCn1nccc1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000161158187 372305436 /nfs/dbraw/zinc/30/54/36/372305436.db2.gz YRZFMSRODDYXAM-UHFFFAOYSA-N 1 1 293.798 3.067 20 70 CGIDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2ccccc2s1 ZINC000217365913 376173029 /nfs/dbraw/zinc/17/30/29/376173029.db2.gz YVOGEXMUXZHCHU-LLVKDONJSA-N 1 1 263.410 3.439 20 70 CGIDMO CCn1cc([C@H](C)[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)cn1 ZINC000217458486 376174493 /nfs/dbraw/zinc/17/44/93/376174493.db2.gz FDUXBMPXODVXRO-VYDXJSESSA-N 1 1 292.471 3.064 20 70 CGIDMO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCN(C)C1 ZINC000217571482 376176120 /nfs/dbraw/zinc/17/61/20/376176120.db2.gz DSHKQURYYKKANV-KDOFPFPSSA-N 1 1 288.435 3.004 20 70 CGIDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(C)[nH]1 ZINC000217811252 376179684 /nfs/dbraw/zinc/17/96/84/376179684.db2.gz YTHAMVGEDWGTAY-GDBMZVCRSA-N 1 1 274.408 3.469 20 70 CGIDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(C)[nH]1 ZINC000217811252 376179692 /nfs/dbraw/zinc/17/96/92/376179692.db2.gz YTHAMVGEDWGTAY-GDBMZVCRSA-N 1 1 274.408 3.469 20 70 CGIDMO C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000218073170 376183168 /nfs/dbraw/zinc/18/31/68/376183168.db2.gz NQYAYYLFCAMSJN-STQMWFEESA-N 1 1 298.377 3.280 20 70 CGIDMO CCCN1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC000159743735 542150680 /nfs/dbraw/zinc/15/06/80/542150680.db2.gz HZKXPYFPFLLFHH-UHFFFAOYSA-N 1 1 278.415 3.222 20 70 CGIDMO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccco1 ZINC000160758318 392583187 /nfs/dbraw/zinc/58/31/87/392583187.db2.gz AALOQMFCQJMTIZ-HOCLYGCPSA-N 1 1 298.386 3.294 20 70 CGIDMO C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cnccn1 ZINC000161279328 274521868 /nfs/dbraw/zinc/52/18/68/274521868.db2.gz YCLLNLXLOUJZHN-GXFFZTMASA-N 1 1 289.766 3.304 20 70 CGIDMO CCC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159953576 276002888 /nfs/dbraw/zinc/00/28/88/276002888.db2.gz NMSRQTRNNAYLEW-OAHLLOKOSA-N 1 1 297.402 3.321 20 70 CGIDMO CCC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159953576 276002889 /nfs/dbraw/zinc/00/28/89/276002889.db2.gz NMSRQTRNNAYLEW-OAHLLOKOSA-N 1 1 297.402 3.321 20 70 CGIDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cccnc1Cl ZINC000161173438 276160852 /nfs/dbraw/zinc/16/08/52/276160852.db2.gz UXOXPQQGPWYJJZ-STQMWFEESA-N 1 1 281.831 3.260 20 70 CGIDMO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccnc1Cl ZINC000161173438 276160854 /nfs/dbraw/zinc/16/08/54/276160854.db2.gz UXOXPQQGPWYJJZ-STQMWFEESA-N 1 1 281.831 3.260 20 70 CGIDMO Cc1nc2c(s1)[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161103247 282036876 /nfs/dbraw/zinc/03/68/76/282036876.db2.gz JFIRFARKVNFTQW-YDHLFZDLSA-N 1 1 293.480 3.291 20 70 CGIDMO CCn1ccnc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000160789717 523527777 /nfs/dbraw/zinc/52/77/77/523527777.db2.gz LXBAJKQXYXHQMJ-UHFFFAOYSA-N 1 1 269.392 3.283 20 70 CGIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCOCC(F)(F)F)n1 ZINC000160420390 524849969 /nfs/dbraw/zinc/84/99/69/524849969.db2.gz CDONEUNQUWDHOB-ZDUSSCGKSA-N 1 1 288.313 3.106 20 70 CGIDMO